SCHEMBL7343256

SCHEMBL7343256

COC(=O)CCC1(NC(=O)CNC(=O)c2cccc(NC=NN)c2)C=CSC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
EPHX2 P34913 1/20 0.32
MAPT P10636 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7345104 0.91 ITGB3 (0.34) KMT2AMEN1SMN1; SMN2MITFLMNA
SCHEMBL7343247 0.87 EPHX2 (0.36) KMT2AMEN1SMN1; SMN2MITFLMNA
SCHEMBL7345087 0.79 SMN1; SMN2 (0.38) KMT2AMEN1SMN1; SMN2EPHX2ITGB3
SCHEMBL6779680 0.72 GPR139 (0.45) KMT2AMEN1MAPK1GPR139ITGB3
SCHEMBL7340566 0.71 PTPRC (0.33) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7341130 0.69 KMT2A (0.35) KMT2AMEN1SMN1; SMN2GPR139ITGB3
SCHEMBL7344227 0.69 HTT (0.40) KMT2AMEN1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7341076 0.69 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27502755 0.69 ITGB3 (0.41) KMT2ASMN1; SMN2LMNAKDM4EEPHX2
SCHEMBL7341582 0.68 GPR139 (0.41) KMT2AMEN1ALDH1A1GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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