SCHEMBL9269052

SCHEMBL9269052

COCCN(C(=S)c1c(O)c2cc(OC)ccc2n(C)c1=O)c1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL9268854 0.94 HIF1A (0.48) HIF1AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9267786 0.78 GSK3B (0.41) HIF1AALDH1A1KDM4EGAATSHR
SCHEMBL9287071 0.78 ALDH1A1 (0.42) HIF1AALDH1A1KDM4EGAAMAPT
SCHEMBL9266139 0.77 MEN1 (0.54) HIF1AALDH1A1KDM4EGAAMAPT
SCHEMBL9284056 0.76 GSK3B (0.46) HIF1AALDH1A1MEN1KMT2A
SCHEMBL8086963 0.76 GSK3B (0.43) HIF1AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL10679151 0.76 KMT2A (0.60) HIF1AALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9282960 0.73 GSK3B (0.43) HIF1AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL11404065 0.73 HIF1A (0.54) HIF1AALDH1A1KDM4EGAAMAPT
SCHEMBL9267602 0.71 MAPT (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E

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-1995024395-A1 QUINOLINE DERIVATIVES AS IMMUNOMODULATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 — — WO disclosed
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