SCHEMBL11266566

SCHEMBL11266566

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY5R Q15761 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
PRNP P04156 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL11253776 0.88 ROS1 (0.41) KDM4EPTGDR2MAPTMAPK1SMN1; SMN2
SCHEMBL11255704 0.85 PTGDR2 (0.49) IDO1TDO2KDM4ECSNK2A2CSNK2B
SCHEMBL11248945 0.84 IDO1 (0.42) KDRIDO1TDO2KDM4ECSNK2A2
SCHEMBL11500393 0.80 PTGDR2 (0.45) IDO1TDO2KDM4ECSNK2A2CSNK2B
SCHEMBL11251095 0.78 ALDH1A1 (0.47) KDM4EMAPTSMN1; SMN2POLBKMT2A
SCHEMBL11262405 0.77 TDO2 (0.48) IDO1TDO2KDM4ECSNK2A2CSNK2B
SCHEMBL11252609 0.77 PKM (0.39) KDM4ERXFP1MAPTMAPK1POLB
SCHEMBL11253962 0.77 TDO2 (0.45) IDO1TDO2KDM4ECSNK2A2CSNK2B
SCHEMBL11258880 0.77 MMP2 (0.51) KDM4EPTGDR2TDP1ALDH1A1PDE3B
SCHEMBL11253180 0.77 GAA (0.49) KDM4EMAPTMAPK1SMN1; SMN2KMT2A

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