SCHEMBL7340669

SCHEMBL7340669

CS(=O)(=O)c1cccc(CCC(=O)O)c1NC(=O)CNC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
F2 P00734 5/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
ITGAV P06756 2/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL7343660 0.85 ITGB3 (0.40) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7337396 0.83 MAPK1 (0.41) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7339620 0.82 ITGB3 (0.41) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7348081 0.81 ITGB3 (0.43) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7343459 0.80 KCNK3 (0.40) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7339858 0.80 ITGB3 (0.41) F10ITGB3ITGA2BITGAVHTT
SCHEMBL4336179 0.80 SMN1; SMN2 (0.41) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7347208 0.80 SMN1; SMN2 (0.41) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7348024 0.80 ITGB3 (0.42) F10ITGB3ITGA2BITGAVHTT
SCHEMBL7341988 0.80 L3MBTL1 (0.45) F10ITGB3ITGA2BITGAVHTT

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