SCHEMBL10334307

SCHEMBL10334307

Cc1cnc2c(C#N)cnn2c1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 8/20 0.61
POLB P06746 2/20 0.61
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
KDM4D Q6B0I6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.43
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL10554497 0.85 KDM4E (0.47) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL3160795 0.80 KDM4D (0.52) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL9468406 0.75 KDM4E (0.74) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL9468727 0.74 KDM4E (0.65) KDM4EALDH1A1HPGDKDM4DCLK4
SCHEMBL10335729 0.74 RAB9A (0.48) KDM4EALDH1A1POLBLMNAHPGD
SCHEMBL14014371 0.73 KDM4E (0.59) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL14014373 0.72 SMN1; SMN2 (0.65) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL9869067 0.72 KDM4E (0.76) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL9869339 0.71 KDM4D (0.45) KDM4EALDH1A1POLBLMNARXFP1
SCHEMBL4708050 0.70 KDM4E (0.52) KDM4EALDH1A1POLBLMNARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4916137-A 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed