SCHEMBL4970779

SCHEMBL4970779

Cc1ccc(NC(=O)c2cccc(CC(C)C#N)c2)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.49
BRAF P15056 12/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CYP2C9 P11712 3/20 0.44
CASR P41180 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4966996 0.86 ROCK2 (0.44) BRAFKMT2AMEN1KCNK3KCNK9
SCHEMBL4750077 0.85 BRAF (0.57) BRAFCYP2C9
SCHEMBL5803018 0.83 BRAF (0.54) BRAFCYP2C9
SCHEMBL5212609 0.82 MAPT (0.52) KMT2AMEN1SIRT3CYP2C9SMN1; SMN2
SCHEMBL4750556 0.82 BRAF (0.67) BRAFCYP2C9
SCHEMBL4749868 0.81 BRAF (0.67) BRAFCYP2C9
SCHEMBL5801432 0.81 BRAF (0.52) BRAFCYP2C9
SCHEMBL5800552 0.81 MEN1 (0.53) KMT2AMEN1CYP2C9CASRSMN1; SMN2
SCHEMBL5212161 0.79 MAPK14 (0.47) BRAFKMT2AMEN1
SCHEMBL5802387 0.78 BRAF (0.45) BRAFCYP2C9

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-1966174-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071955-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed