SCHEMBL7746996

SCHEMBL7746996

NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 1.00
F2 P00734 12/20 1.00
PRSS1 P07477 10/20 1.00
PRSS2 P07478 9/20 1.00
PRSS3 P35030 9/20 1.00
KLKB1 P03952 4/20 0.76
CARM1 Q86X55 1/20 0.72
F9 P00740 2/20 0.69
PROC P04070 2/20 0.69
KLK1 P06870 1/20 0.69
CFH P08603 1/20 0.68

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
SCHEMBL13550922 0.89 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL3832849 0.89 F2 (0.79) F10F2PRSS1PRSS2PRSS3
SCHEMBL14542915 0.87 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL3836169 0.84 F10 (0.73) F10F2PRSS1PRSS2PRSS3
SCHEMBL7749603 0.84 PRSS1 (0.88) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169448 0.83 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL28111188 0.82 KLKB1 (0.83) F10F2PRSS1PRSS2PRSS3
SCHEMBL7742478 0.82 F10 (0.89) F10F2PRSS1PRSS2PRSS3
SCHEMBL3052253 0.82 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL31067656 0.82 F10 (1.00) F10F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794412-B1 Treatment of thrombosis by combined use of a factor Xa inhibitor and aspirin BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 US disclosed
US-6794412-B1 Treatment of thrombosis by combined use of a factor Xa inhibitor and aspirin BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 US disclosed