SCHEMBL1800832

SCHEMBL1800832

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ST14 Q9Y5Y6 3/20 0.37
F10 P00742 2/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MLNR O43193 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSPB1 P04792 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL1798846 0.91 DAGLA (0.38) LTA4HALDH1A1ADAMTS4MMP1MMP2
SCHEMBL4377327 0.89 F2 (0.39) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4370906 0.83 SCN9A (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL1799336 0.83 F2 (0.34) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4375791 0.81 MMP2 (0.42) LTA4HMMP1MMP2MMP13MMP14
SCHEMBL4372704 0.79 HPGDS (0.41) MLNRSCN9A
SCHEMBL1800831 0.78 ADAM17 (0.50) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3874559 0.77 NPY4R (0.36)
SCHEMBL4375795 0.77 TBXA2R (0.34) PRSS1SCN9AFPR2
SCHEMBL4371687 0.77 SMN1; SMN2 (0.36) PRSS1LTA4HMMP2MMP13MMP14

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