SCHEMBL17383195

SCHEMBL17383195

CCS(=O)(=O)c1ccc(-n2cnc(Cl)n2)nc1-c1nc2cc([S+]([O-])C(F)(F)F)ccc2o1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ DDR1 Q08345 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ SLC47A1 Q96FL8 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
SCHEMBL17383180 0.91 UTRN (0.35) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL17382612 0.90 UTRN (0.34) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL17383393 0.86 CYP1A2 (0.38) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL17382623 0.85 UTRN (0.35) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL16375379 0.84 UTRN (0.40) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL17382580 0.82 NPC1 (0.32) DDR1NPC1RAB9A
SCHEMBL15858544 0.78 UTRN (0.42) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL29431651 0.78 UTRN (0.42) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL18819696 0.76 UTRN (0.48) UTRNCYP1A2AHRHDAC6MEN1
SCHEMBL21810400 0.75 UTRN (0.41) UTRNCYP1A2AHRHDAC6MEN1

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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