SCHEMBL6586691

SCHEMBL6586691

COC(=O)c1ccc(S(=O)(=O)N2CCC(C3(NC(=O)Nc4cccc(C(=N)N)c4)CCCCCC3)CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
ST14 Q9Y5Y6 3/20 0.39
GAA P10253 2/20 0.39
F10 P00742 2/20 0.39
HPN P05981 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HGFAC Q04756 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL6588275 0.88 CHRM5 (0.41) MAPTLMNAKMT2AST14GAA
SCHEMBL6586541 0.85 POLB (0.43) MAPTLMNAMAPK1KMT2AST14
SCHEMBL6588145 0.85 GAA (0.54) MAPTMAPK1KMT2AGAAF10
SCHEMBL6588093 0.83 TP53 (0.51) MAPTLMNAKMT2AST14GAA
SCHEMBL6584604 0.82 F10 (0.46) MAPTLMNAKMT2AST14GAA
SCHEMBL6586241 0.81 F10 (0.42) ST14F10HPNPRSS1PRSS2
SCHEMBL6582723 0.81 NPC1 (0.48) MAPTLMNAKMT2AKDM4ETSHR
SCHEMBL6584538 0.81 F10 (0.37) MAPTMAPK1KMT2AST14GAA
SCHEMBL6582385 0.81 F10 (0.48) MAPTKMT2AST14GAAF10
SCHEMBL6582583 0.81 CNR1 (0.54) MAPTLMNAKMT2AST14GAA

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