SCHEMBL15435378

SCHEMBL15435378

CCOc1ccc(CN2CCc3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 11/20 0.61
KDM4E B2RXH2 1/20 0.55
ACACB O00763 2/20 0.52
ABCB1 P08183 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TNF P01375 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL15435209 0.91 MOGAT2 (0.63) MOGAT2KDM4EABCB1MEN1TNF
SCHEMBL15435212 0.87 MOGAT2 (0.61) MOGAT2ACACBABCB1TNFNOD2
SCHEMBL16715492 0.87 MOGAT2 (0.59) MOGAT2ACACBABCB1MEN1TNF
SCHEMBL15435279 0.86 MOGAT2 (0.67) MOGAT2
SCHEMBL15435427 0.85 MOGAT2 (0.63) MOGAT2KDM4EABCB1MEN1TNF
SCHEMBL15435300 0.85 MOGAT2 (0.83) MOGAT2ABCB1
SCHEMBL15435178 0.85 MOGAT2 (0.65) MOGAT2ACACBABCB1MEN1TNF
SCHEMBL15435247 0.84 MOGAT2 (0.69) MOGAT2ACACBABCB1MEN1NPC1
SCHEMBL15435410 0.83 MOGAT2 (0.68) MOGAT2
SCHEMBL15435246 0.81 MOGAT2 (0.77) MOGAT2ABCB1

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