SCHEMBL11255892

SCHEMBL11255892

N#CCc1cccc2c(C3CCC3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.34
CXCR2 P25025 2/20 0.32
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL11251508 0.97 CAMKK2 (0.36) CAMKK2CXCR2NPC1ALDH1A1MAPT
SCHEMBL11251784 0.96 CAMKK2 (0.35) CAMKK2CXCR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL11261376 0.78 KDM4E (0.41) CDK5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11260207 0.77 TDP1 (0.35) CDK5
SCHEMBL11267832 0.77 TDP1 (0.45) CAMKK2CCNE1CDK2CDK5MAPT
SCHEMBL11251670 0.74 ELANE (0.40)
SCHEMBL11269174 0.74 TDP1 (0.45) CAMKK2CCNE1CDK2CDK5MAPT
SCHEMBL11252606 0.73 TDP1 (0.44) CAMKK2CCNE1CDK2CDK5MAPT
SCHEMBL21617927 0.73 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2
SCHEMBL11266460 0.72 CDK5 (0.38) CAMKK2CCNE1CDK2CDK5ALDH1A1

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