SCHEMBL17565148

SCHEMBL17565148

CS(=O)(=O)c1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.55
KCNH2 Q12809 4/20 0.49
GPR119 Q8TDV5 4/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MOGAT2 Q3SYC2 4/20 0.47
ABCB1 P08183 1/20 0.46
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
RORC P51449 1/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43

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
SCHEMBL2095548 0.82 ACACB (0.57) ACACBKDM4EALDH1A1ABCB1KMT2A
SCHEMBL17565147 0.82 ACACB (0.57) ACACBKDM4EALDH1A1ABCB1KMT2A
SCHEMBL15435247 0.81 MOGAT2 (0.69) ACACBMOGAT2ABCB1KMT2A
SCHEMBL17565144 0.78 MOGAT2 (0.69) MOGAT2
Potassium Ion SCHEMBL4527368 0.78 ACACB (0.57) ACACBKDM4EALDH1A1KMT2AHDAC6
SCHEMBL15435308 0.77 MOGAT2 (0.57) MOGAT2KMT2A
SCHEMBL4157838 0.77 MEN1 (0.58) KDM4EALDH1A1KMT2A
SCHEMBL4517559 0.76 ACACB (0.66) ACACBKDM4EKMT2AHDAC6
SCHEMBL15435213 0.76 MOGAT2 (0.81) MOGAT2
SCHEMBL1263457 0.75 HDAC6 (0.62) ACACBKDM4EKMT2AHDAC6

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
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed