SCHEMBL12824616

SCHEMBL12824616

CCc1nc2[nH]c(C(=O)NC3CCN(C(=O)CO)CC3)c(OCC(F)(F)F)c2cc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.43
▸ CNR1 P21554 7/20 0.39
▸ EPHX2 P34913 4/20 0.37
▸ ATF4 P18848 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CNR2 P34972 6/20 0.36
▸ ENPP2 Q13822 2/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ SYK P43405 1/20 0.35

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
SCHEMBL12825055 0.93 SMO (0.44) SMOEPHX2SYK
SCHEMBL12824862 0.93 SMO (0.44) SMOEPHX2HSD17B10SYK
SCHEMBL12825057 0.93 SMO (0.44) SMOEPHX2HSD17B10SYK
SCHEMBL12824720 0.93 SMO (0.44) SMOEPHX2HSD17B10ENPP2SYK
SCHEMBL12824594 0.92 SMO (0.43) SMOEPHX2KDM4EHPGDCNR2
SCHEMBL12825019 0.92 SMO (0.44) SMOEPHX2
SCHEMBL12824858 0.91 SMO (0.45) SMOEPHX2ENPP2SYK
SCHEMBL12825022 0.89 SMO (0.43) SMOEPHX2HSD17B10
SCHEMBL12825027 0.89 SMO (0.43) SMOCNR1EPHX2ATF4KDM4E
SCHEMBL12824713 0.89 SMO (0.43) 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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