SCHEMBL9516753

SCHEMBL9516753

CC(=O)Nc1c(N)ccc([N+](=O)[O-])c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.41
MAPK8 P45983 6/20 0.39
MAPK9 P45984 4/20 0.39
MAP4K4 O95819 2/20 0.39
ITK Q08881 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CHUK O15111 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK2 P24941 1/20 0.39
CLK2 P49760 1/20 0.39
MAPK10 P53779 1/20 0.39
MAP4K2 Q12851 1/20 0.39
PASK Q96RG2 1/20 0.39
SRPK1 Q96SB4 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL9872830 0.75 MEN1 (0.50) HTTSMN1; SMN2MAPTNPSR1KMT2A
SCHEMBL6826636 0.74 HTT (0.57) HTTRAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL4710342 0.74 RAB9A (0.45) RAB9AMAPTLMNAKMT2AMEN1
SCHEMBL15366075 0.73 HTT (0.50) HTTRAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL8519255 0.71 AR (0.36) HTTRAB9AMAPK8MAPK9MAPK10
SCHEMBL9314849 0.71 TDP1 (0.42) RAB9AMAPTLMNAKMT2AMEN1
SCHEMBL6562681 0.70 GAA (0.46) HTTSMN1; SMN2MAPTNPSR1LMNA
SCHEMBL11649742 0.69 TDP1 (0.43) RAB9AMAPTLMNAKMT2AMEN1
SCHEMBL4271625 0.69 HTT (0.61) HTTRAB9ASMN1; SMN2MAPTLMNA
SCHEMBL29674877 0.69 HTT (0.66) HTTRAB9ASMN1; SMN2MAPTLMNA

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
EP-0455168-B1 DYEING COMPOSITION FOR KERATIN FIBER Kao Corporation (JP) 1993-09-22 EP disclosed
US-5089026-A 1,5-Dihydroxynaphthalene, 2-amino-5-hydroxybenzoic acid, cosmetically acceptable base KAO CORPORATION (JP) 1992-02-18 US disclosed
EP-0455168-A1 Dyeing composition for keratin fiber Kao Corporation (JP) 1991-11-06 EP disclosed