SCHEMBL11258743

SCHEMBL11258743

CC(C)c1nccc2c(CC#N)cccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CG P48736 1/20 0.31
CTSB P07858 2/20 0.30
CACNA2D1 P54289 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL11267998 0.88 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL11257770 0.87
SCHEMBL11257186 0.81 PDE3B (0.40) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL11257657 0.80 LMNA (0.46) GABRA1GABRB2
SCHEMBL11250074 0.79 LOXL2 (0.49) GABRA1GABRB2
SCHEMBL11261342 0.79 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL11264323 0.78 PDE3B (0.36) ALDH1A1HPGD
SCHEMBL21617927 0.77 ALDH1A1 (0.45) ALDH1A1HPGD
SCHEMBL11251945 0.77 CYP3A4 (0.31) ALDH1A1HPGD
SCHEMBL11262866 0.76 PDE3B (0.38) ALDH1A1HPGD

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