SCHEMBL4372245

SCHEMBL4372245

N#Cc1ccc(Oc2ccc(S(=O)(=O)N(O)C(=O)[C@H](N)CCCNC(=N)N)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.39
TRPV4 Q9HBA0 1/20 0.37
SCN9A Q15858 3/20 0.35
PLA2G7 Q13093 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
EGLN2 Q96KS0 1/20 0.34
MGLL Q99685 2/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1B Q00975 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 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 0.91 SCN9A (0.36) TBXA2RSCN9A
SCHEMBL4375795 0.89 TBXA2R (0.34) TBXA2RTRPV4SCN9APSEN1PSEN2
SCHEMBL4371687 0.89 SMN1; SMN2 (0.36) SCN9AEGLN2
SCHEMBL1804010 0.86 CARM1 (0.35) TBXA2R
SCHEMBL4377327 0.81 F2 (0.39) CACNA1HCACNA1B
SCHEMBL1799336 0.81 F2 (0.34)
SCHEMBL3874559 0.80 NPY4R (0.36)
SCHEMBL1799060 0.79 SLC9A3 (0.36)
SCHEMBL1800587 0.79 SLC9A3 (0.33) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL4372241 0.79 ADAM17 (0.49) TBXA2R

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