SCHEMBL27997076

SCHEMBL27997076

O=C(O)c1sc(-c2cccc(F)c2)nc1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.52
▸ DBF4 Q9UBU7 1/20 0.52
▸ TRPM8 Q7Z2W7 9/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ LDHA P00338 1/20 0.43
▸ LDHB P07195 1/20 0.43
▸ BTK Q06187 1/20 0.43

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
SCHEMBL28245727 0.89 CYP1A2 (0.48) CDC7DBF4TRPM8
SCHEMBL15049531 0.86 CDC7 (0.73) CDC7DBF4TRPM8SMN1; SMN2BTK
SCHEMBL28246576 0.84 MAPT (0.50) —
SCHEMBL15049469 0.84 TRPM8 (0.50) TRPM8SMN1; SMN2KDM4EBTK
SCHEMBL4294474 0.77 HPGD (0.63) CDC7DBF4SMN1; SMN2
SCHEMBL15049461 0.76 CDC7 (0.64) CDC7DBF4TRPM8KDM4EBTK
SCHEMBL15049019 0.76 TRPM8 (0.77) CDC7DBF4TRPM8SMN1; SMN2KDM4E
SCHEMBL3436646 0.75 SMN1; SMN2 (0.70) TRPM8SMN1; SMN2KDM4E
SCHEMBL17318028 0.74 CDC7 (0.73) CDC7DBF4TRPM8SMN1; SMN2KDM4E
SCHEMBL27774995 0.73 CDC7 (0.52) CDC7DBF4SMN1; SMN2KDM4E

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 3 patents. 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
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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