SCHEMBL31185239

SCHEMBL31185239

O=C(Oc1ccccc1)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.58
MAPT P10636 7/20 0.50
PPARG P37231 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.46
RORC P51449 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL8925933 0.84 ALOX5 (0.60) ALOX5MAPTPPARGKMT2AMEN1
SCHEMBL7091491 0.83 GAA (0.69) ALOX5MAPTPPARGKMT2AMEN1
SCHEMBL11179642 0.81 ALOX5 (0.68) ALOX5MAPTPPARGKMT2AMEN1
SCHEMBL7091499 0.80 ALOX5 (0.58) ALOX5MAPTKMT2AMEN1GAA
SCHEMBL7086047 0.80 MAPT (0.73) ALOX5MAPTKMT2AMEN1GAA
SCHEMBL22076399 0.80 RAB9A (0.57) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL30062014 0.79 ALDH1A1 (0.59) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL194989 0.79 ALDH1A1 (0.59) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL27529813 0.79 ALOX5 (0.57) ALOX5MAPTPPARGKMT2AMEN1
SCHEMBL8741183 0.79 ALOX5 (0.53) ALOX5MAPTPPARGKMT2AMEN1

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
WO-2024192321-A2 SULFINE-BASED COMPOUNDS FOR GENERATING HYDROGEN PERSULFIDE BROWN UNIVERSITY (US) 2024-09-19 WO disclosed