SCHEMBL20559199

SCHEMBL20559199

C[C@H](Nc1cccc(NC(=O)O)c1)c1nc2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 8/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GRB7 Q14451 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NHERF1 O14745 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYSLTR1 Q9Y271 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYSLTR2 Q9NS75 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
SCHEMBL20559203 1.00 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL17603457 0.92 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL17603383 0.90 IDH1 (0.51) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL20560122 0.85 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL20560121 0.85 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL20559744 0.81 IDH1 (0.56) IDH1
SCHEMBL20559742 0.81 IDH1 (0.56) IDH1
SCHEMBL21112063 0.78 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL17603484 0.78 IDH1 (0.49) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL21112073 0.78 IDH1 (0.47) IDH1SMN1; SMN2CYP1A2CYP2C19HIF1A

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
EP-3194375-B1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS INC (US) 2018-11-21 — — EP claimed
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