SCHEMBL7347231

SCHEMBL7347231

NN=CNc1cccc(C(=O)NCC(=O)Nc2c(Cl)cc(CCC(=O)O)c(Cl)c2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ITGB1 P05556 3/20 0.36
ITGA5 P08648 2/20 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 4/20 0.35
ITGAV P06756 4/20 0.35
ITGA2B P08514 3/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35
ITGB5 P18084 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL7340034 0.90 LMNA (0.38) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7343482 0.90 SMN1; SMN2 (0.37) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7347348 0.89 KMT2A (0.38) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7347208 0.87 SMN1; SMN2 (0.41) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7341272 0.83 KMT2A (0.41) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7337069 0.82 ITGB3 (0.41) LMNASMN1; SMN2KMT2AMEN1ITGB1
SCHEMBL7339650 0.81 HTT (0.39) SMN1; SMN2MAPTKMT2AMEN1ITGB1
SCHEMBL7339438 0.81 L3MBTL1 (0.39) LMNASMN1; SMN2KMT2AMEN1ITGB1
SCHEMBL7342298 0.81 HTT (0.37) LMNASMN1; SMN2KMT2AMEN1ITGB1
SCHEMBL7340143 0.81 SMN1; SMN2 (0.41) LMNASMN1; SMN2MAPTKMT2AMEN1

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