SCHEMBL4370906

SCHEMBL4370906

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
MRGPRX1 Q96LB2 1/20 0.35
PRSS1 P07477 3/20 0.35
F2 P00734 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
TBXA2R P21731 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TMPRSS15 P98073 2/20 0.33
PNLIP P16233 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL4375795 0.93 TBXA2R (0.34) SCN9APRSS1TBXA2RCA12CA1
SCHEMBL4371687 0.93 SMN1; SMN2 (0.36) SCN9APRSS1CA12CA1CA2
SCHEMBL4372245 0.91 TBXA2R (0.39) SCN9ATBXA2R
SCHEMBL4377327 0.90 F2 (0.39) MRGPRX1PRSS1F2PRSS2PRSS3
SCHEMBL1804010 0.90 CARM1 (0.35) MRGPRX1PRSS1CARM1PRMT6TBXA2R
SCHEMBL1799336 0.89 F2 (0.34) MRGPRX1PRSS1F2PRSS2PRSS3
SCHEMBL1800832 0.83 F2 (0.37) SCN9APRSS1F2PRSS2PRSS3
SCHEMBL3874559 0.83 NPY4R (0.36)
SCHEMBL1799060 0.82 SLC9A3 (0.36)
SCHEMBL1800587 0.82 SLC9A3 (0.33) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed