SCHEMBL7342298

SCHEMBL7342298

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 5/20 0.36
ITGAV P06756 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB1 P05556 2/20 0.35
MDM4 O15151 1/20 0.35
ITGA5 P08648 1/20 0.35
MDM2 Q00987 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ITGB5 P18084 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
F10 P00742 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP1 Q9P0U3 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
SCHEMBL7347498 0.92 SMN1; SMN2 (0.38) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7346220 0.91 HTT (0.39) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7341272 0.91 KMT2A (0.41) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7342272 0.88 ITGB3 (0.41) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7337069 0.84 ITGB3 (0.41) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7339438 0.84 L3MBTL1 (0.39) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7340143 0.84 SMN1; SMN2 (0.41) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7340369 0.82 HTT (0.39) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7340034 0.82 LMNA (0.38) HTTL3MBTL1ITGB3ITGA2BITGAV
SCHEMBL7347817 0.81 HTT (0.38) HTTL3MBTL1ITGB3ITGA2BITGAV

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 disclosed
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 disclosed