SCHEMBL7303775

SCHEMBL7303775

COC(=O)COc1ccc(CCNC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
ITGB3 P05106 3/20 0.54
ITGA2B P08514 3/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
F10 P00742 1/20 0.48
LMNA P02545 2/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL9452125 1.00 ST14 (0.54) ST14RAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9269736 0.99 ST14 (0.53) ST14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7299564 0.89 MAPT (0.57) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7303302 0.88 ITGB3 (0.66) ST14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9272405 0.88 ITGB3 (0.66) ST14RAB9ANPC1MAPTSMN1; SMN2
Acetic Acid SCHEMBL9274585 0.86 MAPT (0.57) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7303344 0.85 ST14 (0.59) ST14RAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL9272571 0.84 ST14 (0.58) ST14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7283709 0.83 ITGB3 (0.52) ST14MAPTITGB3ITGA2BKMT2A
SCHEMBL9272551 0.83 RAB9A (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP claimed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US claimed
JP-2235853-A None JP disclosed
EP-0714295-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-12-20 EP disclosed
US-5399585-A Anitcoagulants, antiinflammatory, antitumor HOFFMANN-LA ROCHE INC. (US) 1995-03-21 US disclosed
US-5256812-A Antitumor agents, cardiovascular disorders; having amidino or guandino groups HOFFMANN-LA ROCHE INC. (US) 1993-10-26 US disclosed
US-5084466-A Anticoagulants, antiinflammatory agents, atheriosclerosis and antitumor agents HOFFMANN-LA ROCHE INC. (US) 1992-01-28 US disclosed
JP-H02235853-A CARBOXYLIC ESTER DERIVATIVE F HOFFMANN LA ROCHE AG 1990-09-18 JP disclosed