SCHEMBL6777675

SCHEMBL6777675

Cc1cc(NC(=O)CNC(=O)c2cccc(NC(=N)N)c2)c(CCC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CASP6 P55212 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
F10 P00742 1/20 0.37
HPGD P15428 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
SCHEMBL6783108 0.89 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6773174 0.89 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7340459 0.86 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6777380 0.85 SMN1; SMN2 (0.44) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7339409 0.81 ITGB3 (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7347469 0.81 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6782957 0.81 ITGB3 (0.40) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7346500 0.80 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL7348081 0.80 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT
SCHEMBL6778336 0.80 HTT (0.41) ITGB3ITGA2BSMN1; SMN2L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed
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