SCHEMBL17382580

SCHEMBL17382580

CCS(=O)(=O)c1ccc(-n2cnc(Cl)n2)nc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2n1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ DDR1 Q08345 2/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL17383179 0.86 LMNA (0.43) NPC1RAB9ACA12CA1CA2
SCHEMBL17382581 0.86 DDR1 (0.42) DDR1CNR2
SCHEMBL17382576 0.85 CA12 (0.32) NPC1RAB9ACA12CA1CA2
SCHEMBL27148710 0.85 NPC1 (0.36) NPC1RAB9ACA12CA1CA2
SCHEMBL17383194 0.84 DDR1 (0.32) NPC1RAB9ADDR1
SCHEMBL27140601 0.83 CNR2 (0.35) NPC1RAB9ACA12CA1CA2
SCHEMBL17383195 0.82 UTRN (0.34) NPC1RAB9ADDR1
SCHEMBL17383389 0.82 CA12 (0.37) NPC1RAB9ACA12CA1CA2
SCHEMBL17949520 0.82 DDR1 (0.35) DDR1
SCHEMBL17383211 0.77 DDR1 (0.40) NPC1RAB9ADDR1CNR2

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
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