SCHEMBL7340238

SCHEMBL7340238

N=C(N)Nc1cccc(C(=O)NCC(=O)Nc2cc(Br)cc(Cl)c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
ITGB6 P18564 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F10 P00742 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ANO1 Q5XXA6 1/20 0.38

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
Propionic Acid SCHEMBL7337734 0.94 LMNA (0.44) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7340247 0.85 LMNA (0.43) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7346205 0.84 ITGB3 (0.40) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
Propionic Acid SCHEMBL7337742 0.82 LMNA (0.42) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL6777292 0.81 ITGB3 (0.65) ITGB3ITGAVITGB6
SCHEMBL7341242 0.78 MEN1 (0.42) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL23455401 0.77 ITGB1 (0.62) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL23455398 0.77 ITGB1 (0.62) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7346981 0.76 SMN1; SMN2 (0.39) LMNAALDH1A1SMN1; SMN2ITGB3ITGAV
SCHEMBL7340024 0.76 ALDH1A1 (0.39) LMNAALDH1A1SMN1; SMN2ITGB3MEN1

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