SCHEMBL7318568

SCHEMBL7318568

COc1ccc(S(=O)(=O)NCC(CC(=O)O)NC(=O)CCCCc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.58
ITGA2B P08514 11/20 0.58
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.45
F2 P00734 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7320112 0.90 ITGB3 (0.61) ITGB3ITGA2BF2TMPRSS6ALDH1A1
SCHEMBL7352327 0.88 ITGB3 (0.60) ITGB3ITGA2BALDH1A1KMT2AMMP1
SCHEMBL7323685 0.85 LMNA (0.47) ITGB3ITGA2BLMNATSHRALDH1A1
SCHEMBL7386244 0.85 ITGB3 (0.79) ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL8189053 0.79 MMP2 (0.52) ITGB3ITGA2BLMNAALDH1A1KMT2A
SCHEMBL7389600 0.78 ITGB3 (0.76) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7351137 0.78 ITGB3 (0.63) ITGB3ITGA2BKMT2A
SCHEMBL7357410 0.77 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7436661 0.77 ITGB3 (0.74) ITGB3ITGA2BMMP1MMP2MMP3
SCHEMBL7378671 0.76 ITGB3 (0.76) ITGB3ITGA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264457-A Phenyl amidines sulfonamides useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-11-23 US claimed
WO-1993016038-A1 PHENYL AMIDINES SULFONAMIDES USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-08-19 WO claimed
US-5264457-A Phenyl amidines sulfonamides useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-11-23 US disclosed
WO-1993016038-A1 PHENYL AMIDINES SULFONAMIDES USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-08-19 WO disclosed