SCHEMBL9801440

SCHEMBL9801440

[O]N=Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.56
CCNT1 O60563 1/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
CCNA1 P78396 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
PTPN11 Q06124 1/20 0.49
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL5838349 0.82 NPC1 (0.59) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL24213305 0.82 NPC1 (0.59) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL5838346 0.82 NPC1 (0.59) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL13021483 0.82 PLAU (0.55) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL9275769 0.82 PLAU (0.59) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL9801446 0.82 PLAU (0.59) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL3184824 0.80 PLAU (0.62) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL1263552 0.80 PLAU (0.53) PLAUCCNT1CCNB2CCNE2CDK1
SCHEMBL1263553 0.80 PLAU (0.53) PLAUCCNT1CCNB2CCNE2CDK1
Charcoal, Activated SCHEMBL5133893 0.79 PLAU (0.51) PLAUCCNT1CCNB2CCNE2CDK1

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-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 US claimed
EP-0419412-A2 Process for the preparation of benzotriazoles CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed