SCHEMBL6264652

SCHEMBL6264652

Cc1n[nH]c(C)c1Oc1ccc(Cl)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.50
PROKR1 Q8TCW9 2/20 0.50
ENPP3 O14638 1/20 0.42
ALPL P05186 1/20 0.42
ENPP1 P22413 1/20 0.42
XIAP P98170 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SCN9A Q15858 3/20 0.38
LPAR2 Q9HBW0 3/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC22A12 Q96S37 3/20 0.37
EPAS1 Q99814 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL6625485 0.74 NOS2 (0.38) FPR2PROKR1MEN1KMT2AKDM4E
SCHEMBL6418878 0.71 ENPP3 (0.59) FPR2PROKR1ENPP3ALPLENPP1
SCHEMBL509165 0.71 KCNH2 (0.58) ENPP3ALPLENPP1XIAPKMT2A
SCHEMBL945003 0.69 ALDH1A1 (0.61) KDM4EALDH1A1HPGD
SCHEMBL29615609 0.69 ALDH1A1 (0.61) KDM4EALDH1A1HPGD
SCHEMBL509030 0.68 ENPP3 (0.55) ENPP3ALPLENPP1XIAPMEN1
SCHEMBL4104852 0.68 ENPP3 (0.55) ENPP3ALPLENPP1XIAPMEN1
SCHEMBL4718347 0.68 KCNH2 (0.54) ENPP3ALPLENPP1XIAPMEN1
SCHEMBL31441456 0.68 MAOA (0.61) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7050401 0.68 MAOA (0.61) MEN1KMT2AKDM4EALDH1A1HPGD

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-1551828-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2005-07-13 EP disclosed
WO-2004031178-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2004-04-15 WO disclosed