SCHEMBL14280350

SCHEMBL14280350

CC(C)(C)c1n[nH]c(N)c1N=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 8/20 0.70
CDK2 P24941 8/20 0.70
CCNE2 O96020 5/20 0.70
CCNT1 O60563 5/20 0.51
CDK9 P50750 5/20 0.51
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
GAA P10253 5/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
RPS6KA3 P51812 1/20 0.44

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
SCHEMBL3837884 0.82 CCNE1 (1.00) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL92445 0.76 CCNE1 (0.48) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL8490498 0.76 CCNE2 (0.44) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280348 0.73 CCNE1 (0.45) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL14280341 0.72 CCNE1 (0.44) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL2623686 0.72 SMN1; SMN2 (0.51) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL91890 0.72 SMN1; SMN2 (0.51) CCNE1CDK2CCNE2MEN1KMT2A
SCHEMBL22637920 0.71 MAPT (0.61) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL22637918 0.71 MAPT (0.61) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL14280344 0.71 CCNE1 (0.43) 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