SCHEMBL9451908

SCHEMBL9451908

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PTGS2 P35354 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARD Q03181 10/20 0.46
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPK14 Q16539 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
SCHEMBL9452001 0.89 PTGS2 (0.48) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451865 0.87 ALDH1A1 (0.53) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451959 0.84 ALDH1A1 (0.62) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451876 0.83 ALDH1A1 (0.54) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451931 0.81 PTGS2 (0.58) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9695444 0.79 ANPEP (0.44) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451935 0.79 ALDH1A1 (0.50) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9452021 0.79 PTGS2 (0.56) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9451878 0.78 PTGS2 (0.47) MAPTALDH1A1KDM4EPTGS2LMNA
SCHEMBL9695554 0.78 PTGES (0.45) MAPTALDH1A1KDM4ELMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US claimed
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