SCHEMBL9364706

SCHEMBL9364706

COc1cc(Br)c(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL14939914 0.88 LCK (0.65) POLBMEN1MAPTKMT2ALCK
SCHEMBL17560534 0.86 POLB (0.48) POLBMEN1MAPTKMT2ALCK
SCHEMBL4138153 0.85 ALDH1A1 (0.46) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL26353609 0.83 ALDH1A1 (0.47) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL522262 0.83 HTT (0.64) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL14915504 0.81 LCK (0.65) POLBMEN1MAPTKMT2ALCK
SCHEMBL26352343 0.81 MAPT (0.49) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL13835715 0.81 ALDH1A1 (0.43) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL15006078 0.81 ALDH1A1 (0.44) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL23163264 0.80 LCK (0.46) POLBMEN1MAPTKMT2ALCK

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-0377112-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-08-24 EP disclosed
US-5061706-A 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS NOVO NORDISK A/S (DK) 1991-10-29 US disclosed
EP-0377112-A1 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1990-07-11 EP disclosed