SCHEMBL28246572

SCHEMBL28246572

CNCCNc1nc(-c2ccc(Cl)cc2)sc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ GAA P10253 2/20 0.53
▸ XDH P47989 1/20 0.52
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CHEK1 O14757 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44

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
SCHEMBL15049103 0.89 RAB9A (0.62) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL28245733 0.86 GAA (0.46) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL28245757 0.86 RAB9A (0.56) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049072 0.85 TRPM8 (0.64) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL2069278 0.77 RAB9A (1.00) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049277 0.76 GAA (0.58) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL5196156 0.76 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049166 0.75 TRPM8 (0.62) RAB9AKDM4EGAAMAPTMEN1
SCHEMBL27997095 0.74 GAA (0.43) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL15049178 0.74 TRPM8 (0.61) 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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