SCHEMBL6588913

SCHEMBL6588913

Nc1cccc(NC(=O)NC2(C3CCN(S(=O)(=O)c4ccccc4N)CC3)CCCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
MAPT P10636 4/20 0.40
DDX3X O00571 2/20 0.40
FAAH O00519 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6583612 0.90 CYP3A4 (0.44) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6582385 0.90 F10 (0.48) CNR1MAPTFAAHSMN1; SMN2HTT
SCHEMBL6582583 0.81 CNR1 (0.54) CNR1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6582565 0.80 L3MBTL1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6584604 0.78 F10 (0.46) CNR1MAPTHTTALDH1A1LMNA
SCHEMBL6586541 0.78 POLB (0.43) MAPTALDH1A1LMNAKMT2ATP53
SCHEMBL6588093 0.78 TP53 (0.51) CNR1MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL6586931 0.77 EPHX2 (0.47) MAPTSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6585305 0.75 MAPK1 (0.53) MAPTSMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6588145 0.73 GAA (0.54) MAPTALDH1A1MEN1KMT2ATP53

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-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