SCHEMBL9495641

SCHEMBL9495641

N=C(NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.54
CTSS P25774 1/20 0.52
F2 P00734 4/20 0.52
F10 P00742 1/20 0.52
PLAU P00749 1/20 0.51
KAT6A Q92794 1/20 0.50
CA2 P00918 1/20 0.48
TPSAB1 Q15661 1/20 0.46
TMPRSS6 Q8IU80 1/20 0.46
CYP19A1 P11511 1/20 0.46
NPY5R Q15761 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MMP2 P08253 2/20 0.44

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
SCHEMBL3057528 0.84 F2 (0.60) PLATF2F10PLAUKAT6A
SCHEMBL3419341 0.84 F2 (0.60) PLATF2F10PLAUKAT6A
SCHEMBL9710933 0.83 CTSS (0.56) PLATCTSSF2F10PLAU
SCHEMBL8743768 0.82 CASP1 (0.51) F2F10NPY5RMMEMMP2
SCHEMBL9664068 0.82 F10 (0.71) PLATF2F10PLAUTMPRSS6
SCHEMBL9665279 0.81 PLAT (0.58) PLATCTSSF2F10PLAU
SCHEMBL8743773 0.79 F2 (0.52) PLATCTSSF2F10PLAU
SCHEMBL3310154 0.78 MMP2 (0.71) F2NPY5RPOLBALDH1A1MMP2
SCHEMBL7290941 0.78 MMP2 (0.71) F2NPY5RPOLBALDH1A1MMP2
SCHEMBL31086814 0.78 MMP2 (0.71) F2NPY5RPOLBALDH1A1MMP2

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
US-5187102-A Treating blood sample with thrombin inhibitor which does not bind bivalent cations PENTAPHARM AG (CH) 1993-02-16 US disclosed