SCHEMBL12824618

SCHEMBL12824618

Cc1cc2[nH]c(C(=O)NC3CCN(C(=O)CO)CC3)c(OCC(F)(F)F)c2cc1NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.50
▸ EPHX2 P34913 1/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ CCR8 P51685 1/20 0.38
▸ PDGFRB P09619 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ DVL1 O14640 1/20 0.37
▸ DVL3 Q92997 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CDK14 O94921 1/20 0.37
▸ CCNY Q8ND76 1/20 0.37

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
SCHEMBL12824871 0.93 SMO (0.52) SMOEPHX2MCL1CCR8MEN1
SCHEMBL12825025 0.87 SMO (0.48) SMOEPHX2CCR8CDK14CCNY
SCHEMBL10003149 0.84 SMO (0.49) SMOEPHX2CCR8MEN1KMT2A
SCHEMBL10003787 0.84 SMO (0.60) SMOEPHX2CCR8MEN1KMT2A
SCHEMBL12824595 0.81 SMO (0.41) SMOEPHX2CCR8MEN1KMT2A
SCHEMBL10293262 0.80 SMO (0.53) SMOEPHX2CCR8
SCHEMBL12825027 0.80 SMO (0.43) SMOEPHX2
SCHEMBL12824597 0.79 NPSR1 (0.42) SMOCCR8MEN1KMT2APOLB
SCHEMBL12825060 0.79 SMO (0.43) SMOEPHX2MEN1KMT2A
SCHEMBL10003405 0.79 SMO (0.52) SMOEPHX2CCR8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011024869-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO disclosed
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