SCHEMBL9398152

SCHEMBL9398152

C=CC(N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 2/20 0.43
AGTR1 P30556 1/20 0.43
NOS1 P29475 3/20 0.42
MAPT P10636 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL9398155 1.00 PLAU (0.44) PLAUCCNE2CCNE1CDK2MEN1
SCHEMBL9300709 0.90 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL3282776 0.77 MEN1 (0.61) PLAUCCNE2CCNE1CDK2MEN1
SCHEMBL3282773 0.77 MEN1 (0.61) PLAUCCNE2CCNE1CDK2MEN1
SCHEMBL10429545 0.75 TDP1 (0.39) MEN1KMT2ANOS1MAPTALDH1A1
SCHEMBL5408126 0.74 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL27664321 0.74 MEN1 (0.54) PLAUCCNE2CCNE1CDK2MEN1
Hydrochloric Acid SCHEMBL1756251 0.73 ALDH1A1 (0.47) MEN1KMT2ANOS1MAPTALDH1A1
SCHEMBL15923 0.72 ALDH1A1 (0.75) PLAUCCNE2CCNE1CDK2MEN1
SCHEMBL15922 0.72 ALDH1A1 (0.75) PLAUCCNE2CCNE1CDK2MEN1

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
JP-6041039-A None JP disclosed
JP-H0641039-A ORGANIC NONLINEAR OPTICAL MATERIAL AND ORGANIC NONLINEAR OPTICAL ELEMENT SONY CORP 1994-02-15 JP disclosed