SCHEMBL11263992

SCHEMBL11263992

CCOC(=O)Cc1cc2c([N+](=O)[O-])cccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.40
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MITF O75030 1/20 0.39
HASPIN Q8TF76 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
SCHEMBL6066151 0.84 ALDH1A1 (0.38) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL15715983 0.81 GABRA1 (0.49) MAPK1KMT2ARAB9AMAPTLMNA
SCHEMBL11252971 0.81 CHEK1 (0.48) MAPK1MEN1KMT2ARAB9AMAPT
SCHEMBL11319704 0.81 ALDH1A1 (0.42) MAPK1MEN1KMT2ARAB9AMAPT
SCHEMBL21632972 0.79 MAPK1 (0.43) MAPK1MEN1KMT2ARAB9AMAPT
SCHEMBL15715957 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL11365421 0.78 ALDH1A1 (0.44) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL11262688 0.77 ALDH1A1 (0.49) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL17111627 0.77 MAPK1 (0.45) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL11388630 0.77 ALDH1A1 (0.43) MAPK1MEN1KMT2ARAB9AMAPT

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-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US disclosed