SCHEMBL17382576

SCHEMBL17382576

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2n1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31

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
SCHEMBL17383249 0.85 LMNA (0.45) CA12CA1CA2CA9CNR2
SCHEMBL17383123 0.85 DDR1 (0.36) CNR2
SCHEMBL17382580 0.85 NPC1 (0.32) CA12CA1CA2CA9CNR2
SCHEMBL29543391 0.84 LMNA (0.35) CA12CA1CA2CA9CNR2
SCHEMBL27145437 0.84 LMNA (0.35) CA12CA1CA2CA9CNR2
SCHEMBL17383389 0.83 CA12 (0.37) CA12CA1CA2CA9CNR2
SCHEMBL17383192 0.83 CNR2 (0.30) CNR2NPC1RAB9AALOX5AP
SCHEMBL29542880 0.82 CNR2 (0.35) CA12CA1CA2CA9CNR2
SCHEMBL17382623 0.82 UTRN (0.35) —
SCHEMBL17949562 0.80 SMN1; SMN2 (0.32) CNR2NPC1RAB9AALOX5AP

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-2015198859-A1 CONDENSED HETEROCYCLIC COMPOUND 住友化学株式会社 2015-12-30 — — WO disclosed
Send feedback