SCHEMBL7341272

SCHEMBL7341272

NN=CNc1cccc(C(=O)NCC(=O)Nc2cc(Cl)cc(CCC(=O)O)c2O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.36
ANO1 Q5XXA6 2/20 0.36
ITGB3 P05106 8/20 0.36
ITGAV P06756 8/20 0.36
ITGB6 P18564 5/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 1/20 0.35
ITGB8 P26012 1/20 0.35
ITGA8 P53708 1/20 0.35
ITGA2B P08514 1/20 0.35
HDAC3 O15379 1/20 0.35
CASR P41180 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
SCHEMBL7342298 0.91 HTT (0.37) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7347498 0.90 SMN1; SMN2 (0.38) KMT2AMEN1LMNASMN1; SMN2ITGB3
SCHEMBL7346220 0.90 HTT (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7341242 0.88 MEN1 (0.42) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7347348 0.87 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7340034 0.84 LMNA (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7347231 0.83 LMNA (0.38) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7337069 0.83 ITGB3 (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL7339438 0.82 L3MBTL1 (0.39) KMT2AMEN1LMNASMN1; SMN2ITGB3
SCHEMBL7340143 0.82 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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