SCHEMBL14280341

SCHEMBL14280341

CCCn1nc(C(C)(C)C)c(N=Nc2ccc([N+](=O)[O-])cc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CCNE2 O96020 1/20 0.44
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
HSP90AA1 P07900 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NQO2 P16083 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 2/20 0.36
AGTR1 P30556 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
SCHEMBL14280342 0.94 CCNE1 (0.42) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280349 0.93 CCNE1 (0.41) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL19655679 0.92 CCNE1 (0.41) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280348 0.91 CCNE1 (0.45) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280343 0.89 CCNE1 (0.42) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280344 0.86 CCNE1 (0.43) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL92445 0.85 CCNE1 (0.48) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280346 0.81 CCNE1 (0.42) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL91890 0.78 SMN1; SMN2 (0.51) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL2623686 0.78 SMN1; SMN2 (0.51) CCNE1CDK2CCNE2MEN1KMT2A

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-20080012929-A1 AZO DYE, HEAT-SENSITIVE TRANSFER RECORDING INK SHEET, HEAT-SENSITIVE TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK AND COLOR FILTER FUJIFILM CORPORATION (JP) 2008-01-17 US disclosed