SCHEMBL9452001

SCHEMBL9452001

COc1ccc(-c2nc(CCNC(=O)NC(C)C)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PPARD Q03181 10/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MAPK14 Q16539 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 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
SCHEMBL9451908 0.89 MAPT (0.50) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451982 0.86 MAPT (0.50) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451934 0.85 ALDH1A1 (0.60) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451878 0.81 PTGS2 (0.47) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9695284 0.79 TP53 (0.48) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451865 0.75 ALDH1A1 (0.53) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451959 0.75 ALDH1A1 (0.62) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451893 0.74 MAPT (0.49) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451876 0.74 ALDH1A1 (0.54) PTGS2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9451877 0.74 MAPT (0.43) PTGS2ALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP disclosed