SCHEMBL7348127

SCHEMBL7348127

NN=CNc1cccc(C(=O)NCC(=O)Nc2ccsc2CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ITGB3 P05106 4/20 0.36
ITGB1 P05556 2/20 0.36
ITGAV P06756 2/20 0.36
MDM4 O15151 1/20 0.36
ITGA5 P08648 1/20 0.36
MDM2 Q00987 1/20 0.36
POLB P06746 3/20 0.36
ITGA2B P08514 3/20 0.35
ITGB5 P18084 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
F10 P00742 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL6777380 0.87 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7340493 0.86 SMN1; SMN2 (0.39) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7347817 0.86 HTT (0.38) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7346999 0.82 ITGB3 (0.52) SMN1; SMN2HTTL3MBTL1ITGB3ITGB1
SCHEMBL7337069 0.81 ITGB3 (0.41) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7340309 0.81 KMT2A (0.38) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7342298 0.81 HTT (0.37) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7339438 0.81 L3MBTL1 (0.39) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7340143 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL7343419 0.80 HTT (0.38) SMN1; SMN2HTTL3MBTL1MEN1KMT2A

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