SCHEMBL4000613

SCHEMBL4000613

COCCOc1cc(Br)ccc1CBr

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.41
KDM4E B2RXH2 6/20 0.37
KMT2A Q03164 1/20 0.37
PYCR1 P32322 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HPGD P15428 2/20 0.36
SLC6A4 P31645 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL16441718 0.85 FBP1 (0.40) FBP1KDM4EKMT2APYCR1EGFR
SCHEMBL4003975 0.85 PTGDR2 (0.43) FBP1KDM4EKMT2APYCR1HPGD
SCHEMBL3235607 0.84 HPGD (0.50) KDM4EKMT2AEGFRHPGDALDH1A1
SCHEMBL31053304 0.82 FBP1 (0.44) FBP1KDM4EKMT2AHPGDSLC6A4
SCHEMBL1516692 0.82 FBP1 (0.44) FBP1KDM4EKMT2AHPGDSLC6A4
SCHEMBL23861111 0.80 SLC6A4 (0.51) FBP1KDM4EKMT2AHPGDSLC6A4
SCHEMBL30058019 0.80 SLC6A4 (0.51) FBP1KDM4EKMT2AHPGDSLC6A4
SCHEMBL8591832 0.80 SLC6A4 (0.40) KDM4EKMT2ASLC6A4ALDH1A1NPC1
SCHEMBL1125103 0.80 PYCR1 (0.53) KDM4EKMT2APYCR1TDP1ALDH1A1
SCHEMBL30423333 0.80 PYCR1 (0.53) KDM4EKMT2APYCR1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
EP-1097141-B1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-23 EP disclosed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP disclosed
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
EP-1097141-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP disclosed
EP-1053224-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2000-11-22 EP disclosed
WO-2000003996-A1 IMIDAZOLE DERIVATIVES WITH BIPHENYLSULFONYL SUBSTITUTION, METHOD FOR PREPARING THEM AND THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 WO disclosed