SCHEMBL4259246

SCHEMBL4259246

Cc1cc(CNCC2CCCO2)ccc1-c1ccc(C(N)=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.46
ROCK2 O75116 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
OXTR P30559 1/20 0.44
AVPR1A P37288 1/20 0.44

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
SCHEMBL4074922 0.88 KMT2A (0.47) KMT2AL3MBTL1ATMSMN1; SMN2NPSR1
SCHEMBL4276208 0.85 KMT2A (0.63) KMT2AL3MBTL1ATMSMN1; SMN2NPSR1
SCHEMBL4492023 0.84 OPRM1 (0.45) KMT2AROCK2
SCHEMBL19667040 0.83 ATM (0.62) KMT2AL3MBTL1ATMSMN1; SMN2LMNA
SCHEMBL4080173 0.83 CYP2C9 (0.47) KMT2AL3MBTL1ATMSMN1; SMN2MEN1
SCHEMBL4483783 0.77 OPRM1 (0.56) ALDH1A1
SCHEMBL1785732 0.73 OPRM1 (0.47) KMT2AMEN1ROCK2OXTRAVPR1A
SCHEMBL17850457 0.73 KMT2A (0.71) KMT2AL3MBTL1ATMSMN1; SMN2NPSR1
SCHEMBL10288644 0.73 KMT2A (0.71) KMT2AL3MBTL1ATMSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL3345325 0.72 OPRM1 (0.46) KMT2AMEN1ROCK2OXTRAVPR1A

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