SCHEMBL31480971

SCHEMBL31480971

COC(=O)[C@@H]1CCCN1c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 4/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 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
SCHEMBL31481091 0.89 MAPT (0.56) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL31481034 0.82 ALDH1A1 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3885054 0.82 MAPT (0.61) ALDH1A1MAPTPOLBSMN1; SMN2MAPK1
SCHEMBL3312479 0.80 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL19732136 0.75 MAPT (0.53) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL696233 0.75 MAPT (0.51) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL3312862 0.75 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL30940176 0.74 FFAR1 (0.41) POLB
SCHEMBL26246271 0.74 FFAR1 (0.41) POLB
SCHEMBL30119528 0.73 MAPT (0.43) MAPTPOLBSMN1; SMN2RAB9A

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-2025063272-A1 NICOTINAMIDE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2025-03-27 WO disclosed