SCHEMBL11262866

SCHEMBL11262866

CCCc1nccc2c(CC#N)cccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL11246499 0.89 TDP1 (0.37) KDM4ELMNATSHR
SCHEMBL11264323 0.88 PDE3B (0.36) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL11257186 0.81 PDE3B (0.40) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL8339269 0.80 GRM5 (0.37) PDE3BPDE3AKDM4ECYP3A4GRM5
SCHEMBL11258743 0.76 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL11257770 0.75
SCHEMBL11249116 0.75 TDP1 (0.47) PDE3BPDE3AKDM4ELMNAALDH1A1
SCHEMBL21617927 0.75 ALDH1A1 (0.45) KDM4EALDH1A1HPGD
SCHEMBL11251945 0.75 CYP3A4 (0.31) CYP3A4TSHRALDH1A1HPGD
SCHEMBL13727730 0.74 CYP1A2 (0.46) PDE3BPDE3AATMKDM4ELMNA

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 1 patent. 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