SCHEMBL11255704

SCHEMBL11255704

O=C(O)Cc1cccc2c(-c3ccc(Cl)cc3)nccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.49
KDM4E B2RXH2 3/20 0.48
DRD2 P14416 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
ABCB1 P08183 1/20 0.42
SUCNR1 Q9BXA5 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
SCHEMBL11500393 0.94 PTGDR2 (0.45) PTGDR2KDM4EDRD2TDP1CSNK2A2
SCHEMBL11251835 0.89 TDP1 (0.54) PTGDR2KDM4ETDP1CYP1A2ALDH1A1
SCHEMBL11248945 0.88 IDO1 (0.42) PTGDR2KDM4EDRD2CSNK2A2CSNK2B
SCHEMBL11246786 0.86 LMNA (0.48) PTGDR2KDM4ETDP1CYP1A2ALDH1A1
SCHEMBL11261678 0.86 TDP1 (0.45) PTGDR2KDM4ETDP1CYP1A2ALDH1A1
SCHEMBL11262804 0.86 TDP1 (0.45) PTGDR2KDM4ETDP1CYP1A2MEN1
SCHEMBL11266566 0.85 KDR (0.40) PTGDR2KDM4ETDP1CSNK2A2CSNK2B
SCHEMBL11250186 0.83 PTGDR2 (0.43) PTGDR2KDM4ETDP1CYP1A2ALDH1A1
SCHEMBL11259158 0.83 TDP1 (0.42) PTGDR2KDM4ETDP1CYP1A2POLB
SCHEMBL11258880 0.83 MMP2 (0.51) PTGDR2KDM4ETDP1ALDH1A1HPGD

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US claimed
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