SCHEMBL9270559

SCHEMBL9270559

CN(C(=S)c1c(O)c2cc(Br)ccc2n(C)c1=O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EGLN1 Q9GZT9 2/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ PGR P06401 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL9270493 0.87 MEN1 (0.43) GSK3BALDH1A1SMN1; SMN2EGLN1MEN1
SCHEMBL9269029 0.75 MEN1 (0.46) GSK3BALDH1A1MEN1KMT2APGR
SCHEMBL8085817 0.74 MEN1 (0.56) GSK3BALDH1A1MEN1KMT2APGR
SCHEMBL8086963 0.73 GSK3B (0.43) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9287071 0.73 ALDH1A1 (0.42) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9287554 0.71 GSK3B (0.41) GSK3BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9266139 0.70 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APGR
SCHEMBL9201791 0.70 KMT2A (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APGR
SCHEMBL9266250 0.69 KMT2A (0.53) ALDH1A1SMN1; SMN2MEN1KMT2APGR
SCHEMBL19086606 0.69 ALDH1A1 (0.57) GSK3BALDH1A1SMN1; SMN2EGLN1MEN1

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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