SCHEMBL9287554

SCHEMBL9287554

CC(C)Oc1ccc(N(C)C(=S)c2c(O)c3cc(Cl)ccc3n(C)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PGR P06401 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 7/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRPF1 P55201 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC4 P56524 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
SCHEMBL8086963 0.89 GSK3B (0.43) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9287071 0.85 ALDH1A1 (0.42) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL8085817 0.84 MEN1 (0.56) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9282960 0.84 GSK3B (0.43) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9269029 0.81 MEN1 (0.46) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9266139 0.76 MEN1 (0.54) MEN1KMT2APGRALDH1A1HTT
SCHEMBL9279359 0.76 MEN1 (0.56) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9267786 0.74 GSK3B (0.41) GSK3BALDH1A1KDM4EGAAHIF1A
SCHEMBL10672221 0.73 MEN1 (0.56) GSK3BMEN1KMT2APGRALDH1A1
SCHEMBL9268657 0.73 KCNH2 (0.41) GSK3BALDH1A1

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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