SCHEMBL15435381

SCHEMBL15435381

COc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)C3)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 9/20 0.67
LMNA P02545 4/20 0.56
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
SLC6A9 P48067 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL16715435 0.90 MOGAT2 (0.69) MOGAT2LMNAESR1ESR2ALDH1A1
SCHEMBL15435267 0.90 MOGAT2 (0.69) MOGAT2ESR1ESR2
SCHEMBL16715439 0.85 MOGAT2 (0.58) MOGAT2ESR1ESR2
SCHEMBL25825941 0.81 ESR1 (0.80) ESR1ESR2SLC6A9
SCHEMBL15435224 0.81 MOGAT2 (1.00) MOGAT2
SCHEMBL15435319 0.80 MOGAT2 (0.69) MOGAT2LMNAESR1ESR2
SCHEMBL15435266 0.80 MOGAT2 (0.70) MOGAT2
SCHEMBL15435171 0.79 MOGAT2 (0.68) MOGAT2
SCHEMBL15435318 0.78 MOGAT2 (0.55) MOGAT2KMT2AMEN1
SCHEMBL16715426 0.78 MOGAT2 (0.71) 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