SCHEMBL6582948

SCHEMBL6582948

CC(=O)Nc1sc(S(=O)(=O)N2CCC(C3(NC(=O)Nc4cccc(C(=N)N)c4)CCCCCC3)CC2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
F10 P00742 2/20 0.36
GAA P10253 1/20 0.36
HPN P05981 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
PDE7A Q13946 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL6584538 0.91 F10 (0.37) MAPK1HSD17B10TP53F10GAA
SCHEMBL6582723 0.83 NPC1 (0.48) TP53MEN1KMT2ATSHRL3MBTL1
SCHEMBL6588093 0.81 TP53 (0.51) TP53F10GAAHPNPRSS1
SCHEMBL6588275 0.80 CHRM5 (0.41) F10GAAHPNPRSS1PRSS2
SCHEMBL6588145 0.80 GAA (0.54) MAPK1TP53F10GAAPRSS1
SCHEMBL6586691 0.79 MAPT (0.39) MAPK1TP53F10GAAHPN
SCHEMBL6584604 0.79 F10 (0.46) TP53F10GAAHPNPRSS1
SCHEMBL6586241 0.79 F10 (0.42) F10HPNPRSS1PRSS2PRSS3
SCHEMBL6582385 0.79 F10 (0.48) TP53F10GAAHPNPRSS1
SCHEMBL6582583 0.79 CNR1 (0.54) TP53F10GAAHPNPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP claimed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US claimed
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP disclosed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US disclosed
US-5925635-A 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-07-20 US disclosed