SCHEMBL4370554

SCHEMBL4370554

N=C(NO)c1ccc(C[C@H](C(N)=O)N(O)S(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 4/20 0.39
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
F10 P00742 1/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC3 O15379 1/20 0.34
PLG P00747 1/20 0.33
MMP1 P03956 2/20 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
SCHEMBL4370550 0.84 HDAC6 (0.37) ST14F2PRSS1PRSS2PRSS3
SCHEMBL1797575 0.78 MMP2 (0.43) ST14F2PRSS1PRSS2PRSS3
SCHEMBL4377255 0.75 MEP1B (0.36) ST14F2PRSS1PRSS2PRSS3
SCHEMBL4373478 0.73 F2 (0.48) ST14F2PRSS1PRSS2PRSS3
SCHEMBL1802359 0.68 MMP2 (0.43) ST14F2F10PLGMMP1
SCHEMBL4372258 0.66 F2 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL4372182 0.66 F10 (0.51) ST14F2F10PLG
SCHEMBL1799336 0.66 F2 (0.34) ST14F2PRSS1PRSS2PRSS3
SCHEMBL328409 0.65 MMP1 (0.38) TAS2R14MMP1MMP13
SCHEMBL6852278 0.64 CACNA1H (0.40) TAS2R14MMP1MMP13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed