SCHEMBL9368595

SCHEMBL9368595

CCC(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.65
MAPT P10636 8/20 0.64
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
MAPK1 P28482 2/20 0.63
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.59
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL9364712 0.89 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL9613726 0.86 RAB9A (0.70) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL9613720 0.86 RAB9A (0.70) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL4812667 0.86 MAPT (0.69) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7162798 0.85 RAB9A (0.64) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL978809 0.83 RAB9A (0.73) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL978808 0.83 RAB9A (0.73) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL8784838 0.83 RAB9A (0.69) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL4810405 0.83 MEN1 (0.60) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL7556196 0.83 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2MAPTRAB9A

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