SCHEMBL9282960

SCHEMBL9282960

COCCOc1ccc(N(C)C(=S)c2c(O)c3cc(Cl)ccc3n(C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HIF1A Q16665 9/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ PGR P06401 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 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
SCHEMBL8086963 0.88 GSK3B (0.43) GSK3BLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL9287071 0.84 ALDH1A1 (0.42) GSK3BSMN1; SMN2ALDH1A1HIF1AHSD17B10
SCHEMBL9287554 0.84 GSK3B (0.41) GSK3BLMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL8085817 0.82 MEN1 (0.56) GSK3BALDH1A1HIF1AMEN1KMT2A
SCHEMBL9269029 0.79 MEN1 (0.46) GSK3BALDH1A1HIF1AMEN1KMT2A
SCHEMBL9266139 0.76 MEN1 (0.54) HTTSMN1; SMN2NPSR1ALDH1A1HIF1A
SCHEMBL9267786 0.75 GSK3B (0.41) GSK3BALDH1A1HIF1AKDM4EGAA
SCHEMBL9284056 0.75 GSK3B (0.46) GSK3BALDH1A1HIF1AMEN1KMT2A
SCHEMBL9279359 0.74 MEN1 (0.56) GSK3BALDH1A1HIF1AMEN1KMT2A
SCHEMBL10672221 0.73 MEN1 (0.56) GSK3BSMN1; SMN2ALDH1A1HIF1AHSD17B10

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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