SCHEMBL9375780

SCHEMBL9375780

COC(=O)[C@H](CO)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9375784 1.00 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL14454666 0.89 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL6703265 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4432206 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL4425700 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL5276860 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5276866 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL31425237 0.84 SGMS2 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL5582439 0.84 MEN1 (0.54) ALDH1A1KMT2AMEN1PDK1PDK2
SCHEMBL5582438 0.84 MEN1 (0.54) ALDH1A1KMT2AMEN1PDK1PDK2

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
EP-0590022-A1 IMIDAZO 1,5-a]QUINOXALINES PHARMACIA & UPJOHN COMPANY (US) 1994-04-06 EP disclosed