SCHEMBL7988534

SCHEMBL7988534

NCCc1nc(=O)c2c(ncn2Cc2cccc(F)c2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
CNOT7 Q9UIV1 2/20 0.40
PARN O95453 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
EGFR P00533 1/20 0.38
IDO1 P14902 1/20 0.38
CDK9 P50750 4/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
DBH P09172 1/20 0.36

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
SCHEMBL7988487 0.89 PDE1A (0.46) ROCK2ROCK1CNOT7PARNGRIN1
SCHEMBL7988676 0.87 SMN1; SMN2 (0.47) TAAR1CNOT7PARNEGFR
SCHEMBL7992187 0.87 ALDH1A1 (0.43) TAAR1CNOT7PARNIDO1
SCHEMBL7984210 0.87 GRIN1 (0.43) ROCK2ROCK1CNOT7PARNGRIN1
SCHEMBL7974307 0.87 CNOT7 (0.40) TAAR1CNOT7PARNIDO1
SCHEMBL7985640 0.87 CNOT7 (0.53) CNOT7PARN
Hydrochloric Acid SCHEMBL7987619 0.85 CNOT7 (0.52) CNOT7PARN
SCHEMBL7989504 0.85 GRIN1 (0.41) ROCK2ROCK1CNOT7PARNGRIN1
SCHEMBL7985278 0.85 TP53 (0.50) TAAR1ROCK2ROCK1
SCHEMBL7988531 0.83 ALDH1A1 (0.44) TAAR1ROCK2ROCK1GRIN1GRIN2B

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed