SCHEMBL28245757

SCHEMBL28245757

NCCNc1nc(-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 4/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 2/20 0.51
▸ XDH P47989 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

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
SCHEMBL27997095 0.88 GAA (0.43) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049277 0.87 GAA (0.58) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL28246572 0.86 RAB9A (0.61) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049292 0.83 TRPM8 (0.64) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049469 0.78 TRPM8 (0.50) SMN1; SMN2KDM4EMAPTALDH1A1TRPM8
SCHEMBL28245733 0.78 GAA (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL5196156 0.77 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL28816333 0.74 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049103 0.74 RAB9A (0.62) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL874365 0.74 GAA (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104220069-B Trpm8 antagonists 多姆皮制药公司 2018-10-02 — — CN claimed
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