SCHEMBL31480949

SCHEMBL31480949

COc1ccc(N2CCC[C@@]2(C)C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 12/20 0.45
LMNA P02545 2/20 0.45
RAB9A P51151 1/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL31480966 0.81 ALDH1A1 (0.41) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL7737423 0.79 MAPT (0.46) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL18842295 0.72 ALDH1A1 (0.64) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL31481091 0.72 MAPT (0.56) KMT2AATMALDH1A1LMNARAB9A
SCHEMBL20472814 0.71 ALDH1A1 (0.49) KMT2AATMALDH1A1LMNARAB9A
SCHEMBL4094612 0.71 ALDH1A1 (0.65) KMT2AATMALDH1A1LMNAMEN1
SCHEMBL4094609 0.71 ALDH1A1 (0.65) KMT2AATMALDH1A1LMNAMEN1
SCHEMBL18842299 0.71 ALDH1A1 (0.57) KMT2AALDH1A1LMNARAB9AMEN1
SCHEMBL2033139 0.70 ALDH1A1 (0.69) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL31480948 0.70 LMNA (0.48) KMT2AATMALDH1A1LMNARAB9A

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