SCHEMBL5492275

SCHEMBL5492275

Cc1ccc(Nc2ccc(C(N)=O)cc2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 3/20 0.59
ATM Q13315 2/20 0.59
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
DHODH Q02127 1/20 0.47
ALOX15 P16050 2/20 0.46
USP2 O75604 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL1921405 0.80 GAA (0.52) ALDH1A1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL4647745 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAKMT2ANPC1
SCHEMBL29503140 0.78 PRSS1 (0.61) ALDH1A1SMN1; SMN2LMNAATMKMT2A
SCHEMBL1002832 0.78 PRSS1 (0.61) ALDH1A1SMN1; SMN2LMNAATMKMT2A
SCHEMBL17774908 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAATMKMT2A
SCHEMBL31549984 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2ANPC1
SCHEMBL1155655 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2ANPC1
SCHEMBL30508518 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2ANPC1
SCHEMBL15688714 0.77 ROCK1 (0.52) KMT2ANPC1RAB9AMEN1
SCHEMBL19472697 0.77 KMT2A (0.55) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed