SCHEMBL8139014

SCHEMBL8139014

Cc1cc(Cl)cn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
FGFR1 P11362 2/20 0.43
COMT P21964 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
NOTUM Q6P988 1/20 0.37
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL8142857 0.78 ALDH1A1 (0.53) FGFR1COMTKDM4EALDH1A1CYP1A2
SCHEMBL8140211 0.76 MAPK1 (0.45) MAPK1FGFR1COMTKDM4EALDH1A1
SCHEMBL18947280 0.75 COMT (0.53) COMTKDM4EALDH1A1CYP1A2HPGD
SCHEMBL17918809 0.75 COMT (0.41) FGFR1COMTKDM4EALDH1A1CYP1A2
SCHEMBL8136833 0.75 MAPK1 (0.44) MAPK1FGFR1COMTKDM4EALDH1A1
SCHEMBL14827200 0.72 COMT (0.54) MAPK1COMTKDM4EALDH1A1CYP1A2
SCHEMBL8139455 0.71 MAPK1 (0.44) MAPK1FGFR1COMT
SCHEMBL26003452 0.71 ALDH1A1 (0.50) FGFR1COMTKDM4EALDH1A1HPGD
SCHEMBL8137208 0.69 MAPK1 (0.43) MAPK1FGFR1ALDH1A1NOTUM
SCHEMBL8137002 0.69 HSD17B10 (0.39) MAPK1COMTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed