SCHEMBL6614149

SCHEMBL6614149

N=C(NCC(=O)Nc1ccccc1-c1ccccc1S(N)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
PRSS1 P07477 9/20 0.41
F2 P00734 7/20 0.41
F9 P00740 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7967893 0.72 F10 (0.49) F10PRSS1F2F9
SCHEMBL6616732 0.69 F10 (0.78) F10PRSS1F2F9
SCHEMBL1829208 0.62 RXFP1 (0.50) GAAKMT2A
SCHEMBL6613306 0.62 F2 (0.56) F10CA1CA2PRSS1F2
SCHEMBL21239986 0.61 CA2 (0.63) CA1CA2MEN1KMT2A
SCHEMBL29821990 0.61 CA2 (0.63) CA1CA2MEN1KMT2A
SCHEMBL7933999 0.60 CA1 (0.73) CA1CA2
SCHEMBL12673440 0.60 MEN1 (0.46) MEN1GAAKMT2A
SCHEMBL1080972 0.58 CA2 (0.61) CA1CA2MEN1GAAKMT2A
SCHEMBL20772514 0.58 MAPT (0.62) MEN1KMT2A

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-1015429-B1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-12 EP claimed