SCHEMBL11263232

SCHEMBL11263232

CCOC(=O)Cc1cccc2c(C3CCCCC3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
TBXAS1 P24557 1/20 0.40
KDM4E B2RXH2 6/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
AHR P35869 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL11252606 0.83 TDP1 (0.44) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL11266460 0.82 CDK5 (0.38) KDM4EALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL11269174 0.82 TDP1 (0.45) KDM4EL3MBTL1MAPTTDP1KMT2A
SCHEMBL11256238 0.81 OPRK1 (0.44) ALDH1A1TDP1TSHRLMNA
SCHEMBL11267832 0.79 TDP1 (0.45) KDM4EMAPTTDP1
SCHEMBL11261376 0.79 KDM4E (0.41) KDM4EL3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL11260439 0.76 TDP1 (0.47) KDM4EMAPTTDP1
SCHEMBL11254420 0.76 PKM (0.45) PKMTBXAS1KDM4EALDH1A1L3MBTL1
SCHEMBL11260207 0.75 TDP1 (0.35) L3MBTL1TDP1POLB
SCHEMBL11253180 0.74 GAA (0.49) PKMTBXAS1KDM4EALDH1A1L3MBTL1

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