SCHEMBL9565147

SCHEMBL9565147

O=C(Oc1ccccc1)c1nnnn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.49
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 7/20 0.47
PPARG P37231 1/20 0.47
MAPT P10636 6/20 0.45
GAA P10253 2/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.43
USP2 O75604 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL5973956 0.72 ALOX5 (0.73) PKMSMN1; SMN2KDM4EALOX5ALDH1A1
SCHEMBL27538679 0.72 SMN1; SMN2 (1.00) PKMSMN1; SMN2KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL10438690 0.71 SMN1; SMN2 (0.97) PKMSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL27421509 0.70 ALOX5 (0.60) PKMSMN1; SMN2KDM4EALOX5ALDH1A1
Hydrochloric Acid SCHEMBL28993090 0.70 SMN1; SMN2 (0.94) PKMSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL527544 0.70 KMT2A (0.71) PKMSMN1; SMN2KDM4EALOX5ALDH1A1
SCHEMBL6152799 0.69 KMT2A (0.51) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL10467477 0.69 KMT2A (0.51) SMN1; SMN2ALDH1A1MAPTHTTKMT2A
SCHEMBL20377184 0.69 SMN1; SMN2 (0.64) PKMSMN1; SMN2KDM4EALOX5ALDH1A1
SCHEMBL6322393 0.69 SMN1; SMN2 (0.64) PKMSMN1; SMN2KDM4EALOX5ALDH1A1

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-0567841-A2 Fluorescently marked compounds, their preparation and use MERCK PATENT GmbH (DE) 1993-11-03 EP disclosed