SCHEMBL4375795

SCHEMBL4375795

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.34
SCN9A Q15858 7/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PSEN1 P49768 5/20 0.33
PSEN2 P49810 5/20 0.33
APH1B Q8WW43 5/20 0.33
NCSTN Q92542 5/20 0.33
APH1A Q96BI3 5/20 0.33
PSENEN Q9NZ42 5/20 0.33
FPR2 P25090 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
SLC1A5 Q15758 1/20 0.33
SOS1 Q07889 1/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 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
SCHEMBL4370906 0.93 SCN9A (0.36) TBXA2RSCN9ACA12CA1CA2
SCHEMBL4371687 0.91 SMN1; SMN2 (0.36) SCN9ACA12CA1CA2CA9
SCHEMBL1800587 0.90 SLC9A3 (0.33) CA12CA1CA2CA9PSEN1
SCHEMBL4372245 0.89 TBXA2R (0.39) TBXA2RSCN9APSEN1PSEN2APH1B
SCHEMBL1804010 0.88 CARM1 (0.35) TBXA2RCA12CA1CA2CA9
SCHEMBL4377327 0.83 F2 (0.39) CA12CA1CA2CA9SOS1
SCHEMBL1799336 0.82 F2 (0.34) CA12CA1CA2CA9PRSS1
SCHEMBL1798846 0.82 DAGLA (0.38) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL3874559 0.82 NPY4R (0.36)
SCHEMBL1799060 0.81 SLC9A3 (0.36)

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