SCHEMBL4073993

SCHEMBL4073993

Cc1cc(C(N)=O)ccc1-c1ccc(CNCc2ccccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.42
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
CHEK2 O96017 1/20 0.40
MAOB P27338 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
HPGD P15428 1/20 0.39
RARB P10826 1/20 0.39
KDM4E B2RXH2 2/20 0.39
S1PR1 P21453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4487434 0.87 SMN1; SMN2 (0.50) ALDH1A1HDAC1HPGDRARBSMN1; SMN2
SCHEMBL4486859 0.83 OPRM1 (0.52) CHEK2MAOBPARP10
SCHEMBL13335597 0.81 DPP4 (0.50) SCN3ADPP4ALDH1A1HDAC1KDM4E
Hydrochloric Acid SCHEMBL3340923 0.81 DPP4 (0.49) SCN3ADPP4ALDH1A1HDAC1KDM4E
SCHEMBL4074968 0.80 OPRM1 (0.60) MAPTALDH1A1MEN1KMT2AHDAC1
SCHEMBL4074391 0.79 HDAC1 (0.56) ALDH1A1HDAC1
SCHEMBL4081861 0.78 OPRM1 (0.53) HDAC1RARBKDM4ESMN1; SMN2
SCHEMBL4075498 0.77 OPRM1 (0.43) HDAC1RARB
SCHEMBL4498120 0.76 HDAC1 (0.53) PARP10MEN1KMT2AHDAC1KDM4E
SCHEMBL4073644 0.76 OPRM1 (0.53) DPP4HDAC1RARBSMN1; 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 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