SCHEMBL3834867

SCHEMBL3834867

Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n(-c2cccc(C(=N)N)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.68
F2 P00734 9/20 0.68
PRSS1 P07477 9/20 0.68
PRSS2 P07478 9/20 0.68
PRSS3 P35030 9/20 0.68
F9 P00740 2/20 0.61
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL3829612 0.91 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830187 0.90 F10 (0.72) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831515 0.88 F10 (0.60) F10F2PRSS1PRSS2PRSS3
SCHEMBL3830087 0.84 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833460 0.83 F10 (0.69) F10F2PRSS1PRSS2PRSS3
SCHEMBL3833321 0.83 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831563 0.82 F10 (0.75) F10F2PRSS1PRSS2PRSS3
SCHEMBL3829898 0.81 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831575 0.80 F10 (0.63) F10F2PRSS1PRSS2PRSS3
SCHEMBL3831605 0.80 F10 (0.76) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed