SCHEMBL1804010

SCHEMBL1804010

Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N(O)C(=O)[C@H](N)CCCNC(=N)N)cc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
PRSS1 P07477 2/20 0.35
TMPRSS15 P98073 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
EPAS1 Q99814 1/20 0.32
TBXA2R P21731 4/20 0.31
REN P00797 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL4371687 0.90 SMN1; SMN2 (0.36) PRSS1TMPRSS15CA12CA1CA2
SCHEMBL4370906 0.90 SCN9A (0.36) CARM1PRMT6PRSS1TMPRSS15CA12
SCHEMBL4375795 0.88 TBXA2R (0.34) PRSS1TMPRSS15CA12CA1CA2
SCHEMBL4372245 0.86 TBXA2R (0.39) TBXA2R
SCHEMBL4377327 0.79 F2 (0.39) PRSS1CA12CA1CA2CA9
SCHEMBL4293042 0.79 LTA4H (0.33) CA12CA1CA2CA9TSHR
SCHEMBL1799336 0.79 F2 (0.34) PRSS1CA12CA1CA2CA9
SCHEMBL3874559 0.78 NPY4R (0.36)
SCHEMBL1804007 0.78 ADAM17 (0.47)
SCHEMBL1799060 0.78 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 3 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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed