SCHEMBL7296103

SCHEMBL7296103

N=C(N)c1ccc(C(=O)NCC(O)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.52
ITGA2B P08514 10/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TPSAB1 Q15661 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ST14 Q9Y5Y6 2/20 0.46
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PPARG P37231 1/20 0.43
BCAT2 O15382 1/20 0.43
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 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
SCHEMBL7298224 0.87 F10 (0.47) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9269317 0.86 F10 (0.46) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7297516 0.82 ST14 (0.64) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7118598 0.80 ITGB3 (0.74) ITGB3ITGA2BST14F2F10
SCHEMBL7304057 0.80 ITGB3 (0.56) ITGB3ITGA2BTPSAB1EPHX2NR1H4
SCHEMBL7298011 0.80 ITGB3 (0.57) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9271862 0.79 ITGB3 (0.55) ITGB3ITGA2BTPSAB1EPHX2NR1H4
SCHEMBL9452086 0.74 NPC1 (0.46) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7302955 0.73 ALDH1A1 (0.47) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL9270045 0.72 ST14 (0.54) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2

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 5 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
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