SCHEMBL7370928

SCHEMBL7370928

N=C(N)NC(=O)C1C=NOc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NR3C1 P04150 2/20 0.35
MAPT P10636 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM1 Q13255 2/20 0.32
CYP2C9 P11712 1/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL5473567 0.81 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5585840 0.77 ATM (0.36) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5921179 0.76 CYP2C9 (0.38) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL4542436 0.68 HTR6 (0.33) ATMHDAC3HDAC4HDAC7HDAC8
SCHEMBL5605786 0.63 EGFR (0.36) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL307459 0.61 MAOA (0.34)
SCHEMBL4221393 0.60 ALDH1A1 (0.33) ATMALDH1A1
SCHEMBL30451255 0.59 HDAC3 (0.67) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5424421 0.57 ALDH1A1 (0.66) HDAC4ALDH1A1LMNAHTTHPGD
SCHEMBL5424418 0.57 ALDH1A1 (0.66) HDAC4ALDH1A1LMNAHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097140-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2001-05-09 EP 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-1076651-A1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2001-02-21 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-2000003994-A2 BIPHENYLSULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION PROCESS, THEIR USE AS A DRUG OR DIAGNOSTIC AGENT AND DRUG CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed
WO-1999057102-A1 SUBSTITUTED SULPHONYL CYANAMIDES, METHOD FOR PRODUCING SAME AND THEIR USE AS MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-11 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