SCHEMBL4074922

SCHEMBL4074922

Cc1cc(C(N)=O)ccc1-c1c(C)cc(CNC[C@H]2CCCO2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4259246 0.88 KMT2A (0.49) KMT2AKDM4EMEN1L3MBTL1ATM
SCHEMBL4080173 0.78 CYP2C9 (0.47) KMT2AKDM4EMEN1L3MBTL1ATM
SCHEMBL4276208 0.78 KMT2A (0.63) KMT2AKDM4EMEN1L3MBTL1ATM
SCHEMBL4074422 0.77 OPRM1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDCYP2C19
SCHEMBL19667040 0.76 ATM (0.62) KMT2AKDM4EL3MBTL1ATMALDH1A1
SCHEMBL4081847 0.75 OPRM1 (0.54)
SCHEMBL4492023 0.73 OPRM1 (0.45) KMT2ANPC1RAB9A
SCHEMBL8240258 0.67 HDAC1 (0.51) KMT2ACYP1A2CYP2C19
Hydrochloric Acid SCHEMBL2333286 0.67 SMN1; SMN2 (0.52) KMT2AKDM4EMEN1L3MBTL1ALDH1A1
SCHEMBL4483783 0.67 OPRM1 (0.56) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US claimed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP claimed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO claimed