SCHEMBL15435178

SCHEMBL15435178

O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)CCN(Cc1ccc(OC(F)(F)C(F)F)cc1)C2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 15/20 0.65
ABCB1 P08183 2/20 0.48
ACACB O00763 1/20 0.47
TNF P01375 2/20 0.47
NOD2 Q9HC29 2/20 0.47
NOD1 Q9Y239 2/20 0.47
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15435212 0.92 MOGAT2 (0.61) MOGAT2ABCB1ACACBTNFNOD2
SCHEMBL16715492 0.88 MOGAT2 (0.59) MOGAT2ABCB1ACACBTNFNOD2
SCHEMBL15435209 0.86 MOGAT2 (0.63) MOGAT2ABCB1TNFNOD2NOD1
SCHEMBL15435247 0.85 MOGAT2 (0.69) MOGAT2ABCB1ACACBTNFNOD2
SCHEMBL15435378 0.85 MOGAT2 (0.61) MOGAT2ABCB1ACACBTNFNOD2
SCHEMBL16715478 0.83 MOGAT2 (0.75) MOGAT2
SCHEMBL15435427 0.83 MOGAT2 (0.63) MOGAT2ABCB1TNFNOD2NOD1
SCHEMBL15435300 0.83 MOGAT2 (0.83) MOGAT2ABCB1
SCHEMBL15435195 0.81 MOGAT2 (0.65) MOGAT2
SCHEMBL15435279 0.80 MOGAT2 (0.67) MOGAT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed