SCHEMBL7334696

SCHEMBL7334696

O=C(COc1ccc(C(=O)CBr)cc1)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
HPGD P15428 1/20 0.71
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 1/20 0.62
THRB P10828 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP2C19 P33261 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2C9 P11712 1/20 0.61
MEN1 O00255 2/20 0.60
POLB P06746 1/20 0.60
HTT P42858 3/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SGMS1 Q86VZ5 1/20 0.55

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
SCHEMBL9271522 0.85 ALDH1A1 (0.82) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL5272168 0.84 KMT2A (1.00) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL9273340 0.83 KMT2A (0.84) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL9271748 0.81 KMT2A (0.82) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL9273628 0.81 KMT2A (0.82) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL14112020 0.80 KMT2A (0.79) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL14032740 0.80 HTT (0.82) KMT2AHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL6957844 0.80 KMT2A (0.79) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL10594022 0.79 KMT2A (0.77) KMT2AHPGDALDH1A1KDM4ETHRB
SCHEMBL1695939 0.79 KMT2A (0.88) KMT2AHPGDALDH1A1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed