SCHEMBL8999431

SCHEMBL8999431

CCn1nc(C)c(N=Nc2ccc([N+](=O)[O-])cc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.48
CDK2 P24941 2/20 0.48
CCNE2 O96020 1/20 0.48
NQO2 P16083 1/20 0.43
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 8/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
HSP90AA1 P07900 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 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
SCHEMBL14280348 0.84 CCNE1 (0.45) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL12332747 0.83 CCNE1 (0.51) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL13111374 0.80 CCNE1 (0.49) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14198820 0.78 SMN1; SMN2 (0.72) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280341 0.75 CCNE1 (0.44) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL14280342 0.74 CCNE1 (0.42) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL14280349 0.73 CCNE1 (0.41) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL19655679 0.72 CCNE1 (0.41) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL14280344 0.72 CCNE1 (0.43) CCNE1CDK2CCNE2NQO2MEN1
SCHEMBL14280343 0.71 CCNE1 (0.42) CCNE1CDK2CCNE2NQO2MEN1

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-5576138-A MIXTURE OF RESIN, PHOTOSENSITIZER AND BENZOPHENONE COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 1996-11-19 US disclosed