SCHEMBL7347348

SCHEMBL7347348

NN=CNc1cccc(C(=O)NCC(=O)Nc2c(Cl)cc(Cl)cc2CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 3/20 0.37
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36
GRK3 P35626 1/20 0.36
ITGB3 P05106 5/20 0.36
ITGAV P06756 5/20 0.36
ITGB6 P18564 3/20 0.36
ITGA2B P08514 1/20 0.35
GPR139 Q6DWJ6 2/20 0.35
ATM Q13315 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL7348760 0.91 FABP4 (0.35) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7347231 0.89 LMNA (0.38) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7340034 0.89 LMNA (0.38) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7347637 0.88 FABP4 (0.33) KMT2AMEN1GPR139
SCHEMBL4336179 0.87 SMN1; SMN2 (0.41) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7341272 0.87 KMT2A (0.41) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7343482 0.86 SMN1; SMN2 (0.37) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7343852 0.84 SMN1; SMN2 (0.38) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7343848 0.84 SMN1; SMN2 (0.38) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL7342327 0.84 KMT2A (0.37) KMT2ALMNASMN1; SMN2MAPTMEN1

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