SCHEMBL11262804

SCHEMBL11262804

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
PTGDR2 Q9Y5Y4 13/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.43
TBXA2R P21731 1/20 0.42
PTGDR Q13258 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 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
SCHEMBL11251835 0.89 TDP1 (0.54) TDP1MMP1MMP2MMP3MMP9
SCHEMBL11255704 0.86 PTGDR2 (0.49) TDP1PTGDR2MEN1POLBKMT2A
SCHEMBL11246786 0.86 LMNA (0.48) TDP1PTGDR2MEN1POLBKMT2A
SCHEMBL11261678 0.86 TDP1 (0.45) TDP1PTGDR2MEN1POLBKMT2A
SCHEMBL11246793 0.86 PPARD (0.47) TDP1PTGDR2
SCHEMBL11259158 0.83 TDP1 (0.42) TDP1PTGDR2POLBKDM4ECYP1A2
SCHEMBL11250186 0.83 PTGDR2 (0.43) TDP1PTGDR2POLBKDM4ECYP1A2
SCHEMBL11258880 0.83 MMP2 (0.51) TDP1MMP1MMP2MMP3MMP9
SCHEMBL11259907 0.82 IDO1 (0.49) TDP1PTGDR2MEN1POLBKMT2A
SCHEMBL11500393 0.81 PTGDR2 (0.45) TDP1PTGDR2MEN1POLBKMT2A

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
JP-56092273-A None JP disclosed
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
JP-S5692273-A 1-PHENYLISOQUINOLINE DERIVATIVE TEIKOKU HORMONE MFG CO LTD 1981-07-25 JP 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