SCHEMBL8129240

SCHEMBL8129240

Cc1nc2ccnc(Cc3ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OC(C)C)cc3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 2/20 0.36
AIMP2 Q13155 1/20 0.34
PLAU P00749 1/20 0.34
HPN P05981 1/20 0.34
PTAFR P25105 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL8119927 0.93 MEN1 (0.38) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8120585 0.93 KDM4E (0.36) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8120021 0.92 BACE1 (0.41) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8131032 0.91 KMT2A (0.35) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8119786 0.90 KMT2A (0.35) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8121259 0.90 KMT2A (0.36) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8134249 0.89 MEN1 (0.48) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8130474 0.89 PTAFR (0.36) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL9582276 0.89 PTAFR (0.36) KMT2AMEN1CYP2C9MMP2MMP1
SCHEMBL8120436 0.89 PTAFR (0.36) KMT2AMEN1CYP2C9MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP claimed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP claimed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO claimed
EP-0543858-B1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARM (GB) 2000-12-20 EP disclosed
US-5451676-A Treatment of hypotension and bronchoconstriction BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-09-19 US disclosed
US-5274094-A Diseases or conditions mediated by platelet-activating factor; cyclization of a diamino compound with a carboxylic acid BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-12-28 US disclosed
EP-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed
US-5200412-A Antiinflammatory agents and antiallergens BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-04-06 US disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed