SCHEMBL9777601

SCHEMBL9777601

Cc1ccc(Nc2ccccn2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 5/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
NOD2 Q9HC29 1/20 0.50
TDP2 O95551 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
BLM P54132 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 3/20 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
SCHEMBL4032494 0.78 MEN1 (0.73) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL9777691 0.77 LMNA (0.44) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL31220843 0.75 MEN1 (0.73) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL9777679 0.75 MEN1 (0.55) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2509686 0.75 MEN1 (0.59) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL16035890 0.74 KMT2A (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL16352565 0.73 MEN1 (0.53) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL4810409 0.73 MEN1 (0.71) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29744982 0.73 MEN1 (0.71) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6832746 0.72 MEN1 (0.61) MEN1KMT2ANPC1MAPTRAB9A

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-4994087-A Oxidation dyes producing red shades HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1991-02-19 US disclosed