SCHEMBL31493403

SCHEMBL31493403

CCOC(=O)c1cc([N+](=O)[O-])cn1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
NPC1 O15118 1/20 0.45
CASP3 P42574 2/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.42
CACNA1F O60840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
FKBP1A P62942 1/20 0.41
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1844382 0.99 NPC1 (0.46) ARNPC1CASP3KMT2AMAPT
SCHEMBL6819794 0.94 AR (0.45) ARNPC1CASP3KMT2AMAPT
SCHEMBL31493404 0.81 KMT2A (0.48) CASP3KMT2AMAPTALDH1A1MAPK1
SCHEMBL1847823 0.79 ALDH1A1 (0.37) KMT2AALDH1A1SMN1; SMN2
SCHEMBL1298878 0.78 NPC1 (0.52) ARNPC1KMT2AMAPTPOLB
SCHEMBL1844219 0.77 AR (0.46) ARNPC1CASP3MAPTALDH1A1
SCHEMBL3477514 0.76 AR (0.57) ARNPC1MAPTPOLBCACNA1F
SCHEMBL30211543 0.73 NPC1 (0.48) ARNPC1KMT2AMAPTPOLB
SCHEMBL6825077 0.73 AR (0.45) ARNPC1MAPTALDH1A1CACNA1F
SCHEMBL1842078 0.73 NPC1 (0.47) ARNPC1KMT2AMAPTALDH1A1

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-2025076236-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed