SCHEMBL1798846

SCHEMBL1798846

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.38
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
P2RX3 P56373 3/20 0.34
SCN9A Q15858 3/20 0.34
LTA4H P09960 2/20 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
ADAMTS5 Q9UNA0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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

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
SCHEMBL1800832 0.91 F2 (0.37) DAGLASCN9ALTA4HADAMTS4MMP1
SCHEMBL4375795 0.82 TBXA2R (0.34) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL1800587 0.82 SLC9A3 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4375791 0.81 MMP2 (0.42) LTA4HMMP1MMP2MMP13MMP14
SCHEMBL4377327 0.80 F2 (0.39) BCL2L1MCL1MMP1MMP2MMP13
SCHEMBL1798842 0.78 ADAM17 (0.50) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL4370906 0.75 SCN9A (0.36) SCN9AALDH1A1
SCHEMBL1799336 0.74 F2 (0.34) ALDH1A1
SCHEMBL3874559 0.74 NPY4R (0.36)
SCHEMBL4372704 0.73 HPGDS (0.41) SCN9A

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