SCHEMBL17383389

SCHEMBL17383389

CCS(=O)(=O)c1ccc(S(=O)(=O)CC)c(-c2nc3cc([S+]([O-])C(F)(F)F)ccc3n2C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CNR2 P34972 5/20 0.35
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HPGD P15428 1/20 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
SCHEMBL18795101 0.85 CNR2 (0.36) CA12CA9CA1CA2CNR2
SCHEMBL20633526 0.84 CA12 (0.35) CA12CA9CA1CA2CNR2
SCHEMBL29814259 0.84 CA12 (0.35) CA12CA9CA1CA2CNR2
SCHEMBL17382576 0.83 CA12 (0.32) CA12CA9CA1CA2CNR2
SCHEMBL17383248 0.83 LMNA (0.52) CA12CA9CA1CA2CNR2
SCHEMBL17382580 0.82 NPC1 (0.32) CA12CA9CA1CA2CNR2
SCHEMBL17383242 0.80 CNR2 (0.34) CA12CA9CA1CA2CNR2
SCHEMBL22190192 0.80 CNR2 (0.35) CA12CA9CA1CA2CNR2
SCHEMBL29721479 0.80 NPC1 (0.34) CA12CA9CA1CA2CNR2
SCHEMBL20633522 0.80 CA12 (0.39) CA12CA9CA1CA2CNR2

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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