SCHEMBL28816333

SCHEMBL28816333

NCCOc1nc(-c2ccc(Cl)cc2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ XDH P47989 1/20 0.45
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ RARB P10826 2/20 0.43
▸ RARA P10276 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL15049257 0.84 TRPM8 (0.65) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049105 0.84 RAB9A (0.58) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049119 0.82 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15048936 0.80 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049239 0.79 RAB9A (0.59) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049210 0.78 RAB9A (0.51) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049261 0.75 KMT2A (0.52) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL28245757 0.74 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049108 0.73 CDC7 (0.55) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049359 0.73 RAB9A (0.69) RAB9ASMN1; SMN2KDM4ENPC1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220069-A Trpm8 antagonists DOMPE SPA 2014-12-17 — — CN claimed
CN-104220069-A Trpm8 antagonists DOMPE SPA 2014-12-17 — — CN disclosed
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