SCHEMBL12824871

SCHEMBL12824871

CCc1cc2[nH]c(C(=O)NC3CCN(C(=O)CO)CC3)c(OCC(F)(F)F)c2cc1NC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.52
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCR8 P51685 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ SSTR5 P35346 1/20 0.36

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
SCHEMBL12824618 0.93 SMO (0.50) SMOMEN1POLBKMT2ACCR8
SCHEMBL12824597 0.87 NPSR1 (0.42) SMOMEN1POLBKMT2ACCR8
SCHEMBL12825025 0.86 SMO (0.48) SMOCCR8NPSR1EPHX2LMNA
SCHEMBL10003405 0.85 SMO (0.52) SMOMEN1POLBKMT2ACCR8
SCHEMBL10003469 0.84 SMO (0.64) SMOMEN1POLBKMT2ACCR8
SCHEMBL12824625 0.81 SMN1; SMN2 (0.42) MEN1POLBKMT2ACCR8MAPT
SCHEMBL12825027 0.81 SMO (0.43) SMOMAPTHTTSMN1; SMN2CNR1
SCHEMBL12825060 0.81 SMO (0.43) SMOMEN1KMT2AMAPTEPHX2
SCHEMBL12824860 0.80 CYP2D6 (0.42) SMOMEN1POLBKMT2ACCR8
SCHEMBL12825061 0.80 SMO (0.46) SMOEPHX2

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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