SCHEMBL9268248

SCHEMBL9268248

C(=Cc1cccnc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 1.00
CYP11B1 P15538 1/20 1.00
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KDM4E B2RXH2 1/20 0.59
JUN P05412 1/20 0.59
MAPT P10636 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
GPR55 Q9Y2T6 1/20 0.59
CYP19A1 P11511 2/20 0.57
ALOX5 P09917 3/20 0.56
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
ALDH1A1 P00352 1/20 0.56
VCP P55072 1/20 0.55
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31668803 1.00 CYP11B2 (1.00) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL5496395 1.00 CYP11B2 (1.00) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29419007 0.93 CYP11B1 (0.86) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691639 0.93 CYP11B1 (0.86) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691623 0.93 CYP11B1 (0.86) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691532 0.90 CYP11B1 (0.82) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691548 0.90 CYP11B1 (0.82) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691514 0.90 CYP11B1 (0.82) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL29691464 0.90 CYP11B1 (0.82) CYP11B2CYP11B1NPC1RAB9AMEN1
SCHEMBL10972570 0.88 CYP11B1 (0.79) CYP11B2CYP11B1NPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736088-A Method for oxidative cracking of olefin into ketone by photocatalysis 西安医学院 2022-07-12 CN claimed
CN-1304372-C Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 2007-03-14 CN claimed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 CN claimed
CN-114736088-A Method for oxidative cracking of olefin into ketone by photocatalysis 西安医学院 2022-07-12 CN disclosed
EP-3161061-B1 METHOD OF FORMING A PATTERNED THIN FILM COMPONENT AND ORGANIC THIN FILM TRANSISTOR FLEXTERRA INC (US) 2020-11-18 EP disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
CN-106663736-B Photopatternable composition, patterned high dielectric thin film dielectric and related devices 飞利斯有限公司 2020-01-17 CN disclosed
US-10409159-B2 Photopatternable compositions, patterned high k thin film dielectrics and related devices FLEXTERRA, INC. (US) 2019-09-10 US disclosed
CN-108950645-A A kind of aluminium and aluminium alloy anode oxide are without nickel sealer 上海铝通化学科技有限公司 2018-12-07 CN disclosed
US-20170192354-A1 PHOTOPATTERNABLE COMPOSITIONS, PATTERNED HIGH K THIN FILM DIELECTRICS AND RELATED DEVICES USINVEST LLC 2017-07-06 US disclosed
CN-106663736-A Photopatternable compositions, patterned high k thin film dielectrics and related devices 飞利斯有限公司 2017-05-10 CN disclosed
CN-1151732-A Tri-substituted phenyl derivates useful as PDE IV inhibitors CELLTECH THERAPEUTICS LTD (GB) 1997-06-11 CN disclosed
US-5434264-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-18 US disclosed
US-5300642-A α, α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-05 US disclosed
EP-0311010-B1 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers DU PONT MERCK PHARMA (US) 1994-02-02 EP disclosed
EP-0532054-A1 Process for preparing alpha,alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-17 EP disclosed
US-5173489-A α,α-disubstituted aromatics and heteroaromatics as cognition enhancers THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1992-12-22 US disclosed
EP-0311010-A2 Alpha,Alpha-disubstituted aromatics and heteroaromatics as cognition enhancers THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1989-04-12 EP disclosed
US-4528332-A Epoxy compounds, process for the preparation thereof and resist materials comprising thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-07-09 US disclosed
US-3953434-A Dienes useful in the preparation of 1,2,3,4,4a,5,6,7-octahydro-7-aryl-isoquinolines E. R. SQUIBB & SONS, INC. (US) 1976-04-27 US disclosed