SCHEMBL15747823

SCHEMBL15747823

Nc1cnc2ccc(Br)cc2c1Nc1ccc(C2=CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 1/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ BTK Q06187 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PRMT1 Q99873 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ AXL P30530 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ APP P05067 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL15747820 0.88 LNPEP (0.41) LNPEPGRM5BTKROCK2PRMT1
SCHEMBL15747839 0.84 CA1 (0.44) CYP2C19SMN1; SMN2AURKBHDAC1
SCHEMBL15747732 0.83 SMN1; SMN2 (0.46) CYP2C19SMN1; SMN2AURKBHDAC1
SCHEMBL15747864 0.80 HDAC1 (0.37) ROCK2CYP2C19SMN1; SMN2AURKBCSF1R
SCHEMBL15747829 0.77 LNPEP (0.45) LNPEPGRM5BTKAURKBCSF1R
SCHEMBL15747824 0.77 LNPEP (0.43) LNPEPGRM5BTKPRMT1
SCHEMBL2674542 0.74 LNPEP (0.51) LNPEPGRM5PRMT1CYP2C19SMN1; SMN2
SCHEMBL15747743 0.74 LNPEP (0.54) LNPEPGRM5PRMT1CYP2C19SMN1; SMN2
SCHEMBL171387 0.73 GRM5 (0.48) LNPEPGRM5BTKPRMT1CYP2C19
SCHEMBL13490532 0.72 GRM5 (0.52) LNPEPGRM5BTKPRMT1CYP2C19

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-2014079364-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 (CN) 2014-05-30 — — WO disclosed
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