SCHEMBL28879734

SCHEMBL28879734

O=[N+]([O-])c1nc(O)[nH]c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
GALR3 O60755 1/20 0.32
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL5348550 0.77 GALR3 (0.33) MAPTGALR3ALDH1A1KMT2A
SCHEMBL11899744 0.77 GALR3 (0.33) MAPTGALR3ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL2828656 0.76 GALR3 (0.33) MAPTGALR3ALDH1A1KMT2A
SCHEMBL8953652 0.76 MAPT (0.45) MAPTGALR3ALDH1A1GAAKMT2A
Water SCHEMBL9252233 0.76 GALR3 (0.33) MAPTGALR3ALDH1A1KMT2A
Water SCHEMBL9252225 0.76 GALR3 (0.33) MAPTGALR3ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL29977606 0.74 GALR3 (0.32) MAPTGALR3ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL11720958 0.74 MAPT (0.31) MAPT
SCHEMBL667466 0.74 LMNA (0.38) MAPTKMT2AKDM4E
SCHEMBL30518402 0.69 PKM (0.40) MAPT

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
CN-115128195-A LC-MS/MS detection method for pesticide and veterinary drug residues in animal oil and vegetable oil 北京市疾病预防控制中心 2022-09-30 CN disclosed