SCHEMBL31406367

SCHEMBL31406367

COC(=O)CC(C[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
TNF P01375 1/20 0.41
GLA P06280 1/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 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
SCHEMBL16971094 1.00 MAPT (0.43) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL16971221 0.87 ALDH1A1 (0.39) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL16971171 0.86 ALDH1A1 (0.45) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL16971170 0.86 ALDH1A1 (0.45) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL17879526 0.83 LMNA (0.46) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL16979679 0.83 NPC1 (0.46) MAPTALDH1A1KMT2AMEN1TSHR
SCHEMBL16971242 0.82 HTT (0.43) MAPTALDH1A1GLA
SCHEMBL7687237 0.82 CNR1 (0.43) MAPTALDH1A1CYP3A4
SCHEMBL6479039 0.80 TAS1R3 (0.40) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16971142 0.79 ALDH1A1 (0.43) MAPTALDH1A1KMT2AMEN1TSHR

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-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed