SCHEMBL4377255

SCHEMBL4377255

N=C(NO)c1cccc(C[C@@H](N)C(=O)N(O)S(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 6/20 0.36
SLC7A5 Q01650 4/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ST14 Q9Y5Y6 2/20 0.33
F10 P00742 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
MEP1A Q16819 2/20 0.32
ADAM10 O14672 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 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
SCHEMBL4370550 0.91 HDAC6 (0.37) BCL2L1MCL1ALDH1A1ST14F10
SCHEMBL4374490 0.82 DPP4 (0.39) MMP13
SCHEMBL1802359 0.79 MMP2 (0.43) ST14F10TMPRSS6MMP2MMP9
SCHEMBL4370554 0.75 ST14 (0.39) ST14F10MMP2MMP9MMP13
SCHEMBL1799336 0.75 F2 (0.34) ALDH1A1ST14F2PRSS1PRSS2
SCHEMBL4372182 0.73 F10 (0.51) ST14F10TMPRSS6F2
SCHEMBL1799060 0.70 SLC9A3 (0.36) ADAM10MMP2MMP9ADAM17
SCHEMBL4372334 0.70 LTA4H (0.40) ADAM10MMP2MMP9MMP13ADAM17
SCHEMBL4293042 0.70 LTA4H (0.33) ALDH1A1MMP2MMP9MMP13
SCHEMBL1797575 0.69 MMP2 (0.43) ST14TMPRSS6MMP2MMP9MMP13

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