SCHEMBL4947158

SCHEMBL4947158

CCCCNc1ccccc1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TLR8 Q9NR97 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APAF1 O14727 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL7285847 0.95 L3MBTL1 (0.46) CYP2C9CYP2C19CYP1A2CYP3A4TLR8
SCHEMBL28035949 0.93 L3MBTL1 (0.48) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL5546038 0.89 MEN1 (0.44) CYP2C9CYP2C19ALDH1A1MEN1LMNA
SCHEMBL2492316 0.85 TLR8 (0.45) CYP2C9CYP2C19CYP1A2CYP3A4TLR8
SCHEMBL11780119 0.84 MEN1 (0.40) CYP2C9CYP2C19ALDH1A1MEN1LMNA
SCHEMBL10628642 0.82 TLR8 (0.43) CYP2C9CYP2C19CYP1A2CYP3A4TLR8
SCHEMBL6223616 0.81 MAPK1 (0.44) ALDH1A1MEN1LMNAKMT2ATDP1
SCHEMBL5535602 0.81 KMT2A (0.48) CYP2C9CYP2C19ALDH1A1MEN1LMNA
SCHEMBL309485 0.80 TLR8 (0.53) CYP2C9CYP2C19CYP1A2CYP3A4TLR8
SCHEMBL13464216 0.80 L3MBTL1 (0.43) TLR8UTS2RLMNAL3MBTL1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
EP-1124918-B1 USE OF PHOSPHATE ESTER BASE STOCKS AS AIRCRAFT HYDRAULIC FLUIDS EXXONMOBIL RES & ENG CO (US) 2007-08-29 EP disclosed
EP-1761312-A1 AGENTS FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2007-03-14 EP disclosed
WO-2005123017-A1 AGENTS FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-29 WO disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed