SCHEMBL11259158

SCHEMBL11259158

CNc1ccc(-c2nccc3c(CC(=O)O)cccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
PTGDR2 Q9Y5Y4 11/20 0.39
PPARG P37231 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
HSP90AA1 P07900 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
BCAT2 O15382 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11285948 0.88 NR1H2 (0.42) TDP1PTGDR2PPARGNR1H2NR1H3
SCHEMBL11246786 0.86 LMNA (0.48) TDP1PTGDR2PPARGNR1H2NR1H3
SCHEMBL11251835 0.85 TDP1 (0.54) TDP1PTGDR2PPARGNR1H2NR1H3
SCHEMBL11252609 0.85 PKM (0.39) TDP1KDM4EMAPTLMNAPOLB
SCHEMBL11255704 0.83 PTGDR2 (0.49) TDP1PTGDR2KDM4ECYP1A2MAPT
SCHEMBL11261678 0.83 TDP1 (0.45) TDP1PTGDR2PPARGNR1H2NR1H3
SCHEMBL11262804 0.83 TDP1 (0.45) TDP1PTGDR2KDM4ECYP1A2MAPT
SCHEMBL11258880 0.82 MMP2 (0.51) TDP1PTGDR2KDM4E
SCHEMBL11250186 0.82 PTGDR2 (0.43) TDP1PTGDR2PPARGNR1H2NR1H3
SCHEMBL11246793 0.80 PPARD (0.47) TDP1PTGDR2PPARGNR1H2NR1H3

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
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed