SCHEMBL11261376

SCHEMBL11261376

OCc1cccc2c(C3CCCCC3)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FLT3 P36888 4/20 0.36
AURKA O14965 3/20 0.36
JAK2 O60674 3/20 0.36
PRKCA P17252 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
KDR P35968 3/20 0.36
UTS2R Q9UKP6 2/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL11260207 0.87 TDP1 (0.35) L3MBTL1TDP1FLT3AURKAJAK2
SCHEMBL11252606 0.85 TDP1 (0.44) KDM4EMAPTL3MBTL1TDP1HTT
SCHEMBL11266460 0.84 CDK5 (0.38) KDM4EL3MBTL1TDP1UTS2RHTT
SCHEMBL11269174 0.83 TDP1 (0.45) KDM4EMAPTL3MBTL1TDP1HTT
SCHEMBL11251784 0.83 CAMKK2 (0.35) LMNAMAPTTSHRL3MBTL1TDP1
SCHEMBL11251508 0.81 CAMKK2 (0.36) MAPTTSHRL3MBTL1TDP1FLT3
SCHEMBL11267832 0.80 TDP1 (0.45) KDM4EMAPTTDP1CHRNA7GSK3B
SCHEMBL31364004 0.79 TDP1 (0.49) MAPTL3MBTL1TDP1FLT3AURKA
SCHEMBL11263232 0.79 PKM (0.40) KDM4ELMNAMAPTTSHRL3MBTL1
SCHEMBL11255892 0.78 CAMKK2 (0.34) MAPTNPC1RAB9ASMN1; SMN2CDK5

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