SCHEMBL9452018

SCHEMBL9452018

COc1ccc(-c2nc(CNC(=O)c3nc4cnccc4[nH]3)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MAPK14 Q16539 1/20 0.41
PPARD Q03181 5/20 0.41
MMP13 P45452 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 SCHEMBL9451978 0.78 GAA (0.56) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9452014 0.77 MAPT (0.40) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9451959 0.75 ALDH1A1 (0.62) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9451876 0.74 ALDH1A1 (0.54) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9451865 0.73 ALDH1A1 (0.53) PTGS2KDM4EGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL9452000 0.73 LMNA (0.50) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9451908 0.73 MAPT (0.50) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9451931 0.72 PTGS2 (0.58) PTGS2KDM4EGAAALDH1A1MAPT
SCHEMBL9665388 0.72 HCRTR1 (0.49) KDM4EGAAALDH1A1MAPTMAPK14
SCHEMBL9452021 0.71 PTGS2 (0.56) PTGS2KDM4EGAAALDH1A1MAPT

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