SCHEMBL9364790

SCHEMBL9364790

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 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
SCHEMBL4138153 0.82 ALDH1A1 (0.46) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL11163249 0.82 ALDH1A1 (0.47) EGFRMEN1MAPTKMT2AGAA
SCHEMBL30334982 0.80 ALDH1A1 (0.45) EGFRMEN1MAPTKMT2AGAA
SCHEMBL9365204 0.79 HTT (0.40) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL14993728 0.79 TDP1 (0.42) SMN1; SMN2EGFRMAPTALDH1A1TDP1
SCHEMBL522262 0.79 HTT (0.64) MEN1MAPTKMT2AALDH1A1TDP1
SCHEMBL26353609 0.79 ALDH1A1 (0.47) SMN1; SMN2MEN1MAPTKMT2AGAA
SCHEMBL6665406 0.79 VCAM1 (0.47) EGFRMEN1MAPTKMT2AALDH1A1
SCHEMBL24825614 0.78 GPR35 (0.43) EGFRMEN1MAPTKMT2AGAA
SCHEMBL13835715 0.78 ALDH1A1 (0.43) MEN1MAPTKMT2AALDH1A1TDP1

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