SCHEMBL97418

SCHEMBL97418

O=[C]Oc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
GPR84 Q9NQS5 1/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
AGXT P21549 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PTPN7 P35236 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
ALOX5 P09917 1/20 0.44
GAA P10253 1/20 0.42
RCE1 Q9Y256 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL20398651 0.93 GPR84 (0.46) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL18789067 0.86 ALDH1A1 (0.48) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL20398625 0.84 ALDH1A1 (0.50) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL10528819 0.78 CYP11B1 (0.36) CYP1A2CYP2A6GPR84TDP1KMT2A
SCHEMBL2496298 0.78 CYP2A6 (0.54) CYP1A2CYP2A6CA9TDP1KMT2A
SCHEMBL30003929 0.77 CYP2A6 (0.52) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL5788899 0.77 CYP2A6 (0.52) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL8452517 0.77 CYP2A6 (0.52) CYP1A2CYP2A6GPR84CA1CA2
SCHEMBL21178046 0.77 IKBKB (0.48) MAPT
SCHEMBL27139849 0.76 MAOA (0.53) CYP1A2CYP2A6GPR84CA1CA2

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

Appears in 2212 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816153-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2023-10-18 EP claimed
US-7037941-B2 Alpha-and Beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-05-02 US claimed
JP-3657002-B2 2005-06-08 JP claimed
US-20030158236-A1 Alpha-and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-08-21 US claimed
US-6444678-B1 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. 2002-09-03 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US claimed
US-5830897-A AIDS THERAPY G. D. SEARLE & CO. (US) 1998-11-03 US claimed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 EP claimed
EP-0666842-B1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-06-24 EP claimed
US-5648533-A Process of producing 2-iminothiazoline derivatives and process of producing their intermediates SUMITOMO CHEMICAL CO., LTD. (JP) 1997-07-15 US claimed
EP-0600489-B1 Process for producing 2-iminothiazoline derivatives and process for producing their intermediates SUMITOMO CHEMICAL CO (JP) 1996-11-06 EP claimed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP claimed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP claimed
WO-1994010134-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-05-11 WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP claimed
US-20240239922-A1 PHOTOCURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-07-18 US disclosed
US-4021248-A SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US disclosed
US-4004020-A LUTEOLYTIC, ABORTION, SYNCHRONIZATION OF CONCEPTION CYCLE SCHERING AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed