SCHEMBL7346205

SCHEMBL7346205

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGAV P06756 4/20 0.38
MAPT P10636 2/20 0.37
TTR P02766 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL7342272 0.90 ITGB3 (0.41) ITGB3ITGA2BHTTLMNASMN1; SMN2
SCHEMBL7347469 0.89 ITGB3 (0.40) ITGB3ITGA2BHTTSMN1; SMN2L3MBTL1
SCHEMBL7341242 0.89 MEN1 (0.42) ITGB3ITGA2BALDH1A1HTTLMNA
SCHEMBL7348081 0.89 ITGB3 (0.43) ITGB3ITGA2BHTTLMNASMN1; SMN2
SCHEMBL7346220 0.88 HTT (0.39) ITGB3ITGA2BALDH1A1HTTLMNA
SCHEMBL7339858 0.86 ITGB3 (0.41) ITGB3ITGA2BALDH1A1HTTLMNA
SCHEMBL7340238 0.84 LMNA (0.46) ITGB3ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7346981 0.83 SMN1; SMN2 (0.39) ITGB3ITGA2BALDH1A1HTTLMNA
Propionic Acid SCHEMBL7337734 0.83 LMNA (0.44) ITGB3ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL7345081 0.83 ITGB3 (0.40) ITGB3ITGA2BHTTLMNASMN1; 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