SCHEMBL11587481

SCHEMBL11587481

N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.77
MAPT P10636 4/20 0.54
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
EGFR P00533 1/20 0.50
PTPRC P08575 4/20 0.44
S100A4 P26447 4/20 0.44
IDO1 P14902 1/20 0.44
HSP90AA1 P07900 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL1034255 0.87 HPRT1 (1.00) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL30309848 0.87 HPRT1 (1.00) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL29413354 0.87 HPRT1 (1.00) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL9815372 0.86 HPRT1 (0.70) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL11695991 0.84 HPRT1 (0.67) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL10943739 0.83 HPRT1 (0.74) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL11587922 0.82 HPRT1 (0.81) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL11589459 0.81 HPRT1 (0.63) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL11586212 0.81 HPRT1 (0.70) HPRT1MAPTMAPK1KDM4ETDP1
SCHEMBL11588993 0.80 HPRT1 (0.69) HPRT1MAPTMAPK1KDM4ETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406770-A Metallomesogen dyestuff 哥兹有限公司 2017-11-28 CN disclosed
US-RE29554-E Organic photoconductive members comprising dicyanomethylene substituted fluorene sensitizers ADDRESSOGRAPH-MULTIGRAPH CORPORATION (US) 1978-02-28 US disclosed
US-3984378-A PHOTOCONDUCTIVE FILMS KABUSHIKI KAISHA RICOH (JA) 1976-10-05 US disclosed