SCHEMBL7306473

SCHEMBL7306473

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
TMPRSS6 Q8IU80 2/20 0.44
F2 P00734 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ADAMTS4 O75173 1/20 0.43

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
Hydrochloric Acid SCHEMBL9274595 0.99 POLB (0.57) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7302514 0.90 ITGB3 (0.54) POLBALDH1A1CYP2C9CYP2C19TMPRSS6
SCHEMBL7295454 0.84 ALDH1A1 (0.62) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9269854 0.84 ALDH1A1 (0.58) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL9267868 0.84 ALDH1A1 (0.61) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7301011 0.83 POLB (0.57) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL9265744 0.82 POLB (0.56) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7292847 0.81 ITGB3 (0.56) POLBSMN1; SMN2L3MBTL1NPC1GAA
Hydrochloric Acid SCHEMBL9270486 0.80 ITGB3 (0.55) POLBL3MBTL1GAAF2ITGB3
SCHEMBL8407192 0.79 PRSS1 (0.54) POLBL3MBTL1GAAF2ITGB3

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-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