SCHEMBL7344922

SCHEMBL7344922

CCOC(=O)CC(CC(=O)Nc1cc(Cl)cc(Cl)c1)NC(=O)CNC(=O)c1cccc(NC=NN)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ATM Q13315 1/20 0.37
ITGB1 P05556 4/20 0.37
ITGA5 P08648 4/20 0.37
ITGB3 P05106 4/20 0.37
ITGAV P06756 4/20 0.37
ITGB6 P18564 2/20 0.37
ITGB5 P18084 1/20 0.37
ITGB8 P26012 1/20 0.37
ITGA8 P53708 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MDM2 Q00987 2/20 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
SCHEMBL6772337 0.89 GPR139 (0.41) GPR139KMT2AMEN1ATMITGB1
SCHEMBL7343613 0.88 KMT2A (0.39) GPR139KMT2AMEN1ATMITGB1
SCHEMBL7836172 0.87 GPR139 (0.39) GPR139KMT2AMEN1ATMITGB1
SCHEMBL7345743 0.81 GPR139 (0.41) GPR139KMT2AMEN1ATMITGB1
SCHEMBL6779680 0.80 GPR139 (0.45) GPR139KMT2AMEN1ATMITGB1
SCHEMBL7344443 0.80 GPR139 (0.41) GPR139KMT2AMEN1ITGB1ITGA5
SCHEMBL6780118 0.79 ITGB3 (0.47) GPR139KMT2AMEN1ATMITGB1
SCHEMBL7341105 0.78 CTSL (0.46) GPR139KMT2AMEN1ATMALDH1A1
SCHEMBL27486479 0.78 ITGB3 (0.39) GPR139KMT2AMEN1ITGB1ITGA5
SCHEMBL7344119 0.77 GPR139 (0.38) GPR139KMT2AMEN1ATMITGB1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
EP-0850221-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1998-07-01 EP claimed
WO-1997008145-A1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-03-06 WO claimed