SCHEMBL31373281

SCHEMBL31373281

O=[N+]([O-])c1cnc2c(Br)c(F)ccc2c1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 9/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSB P07858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
RAC1 P63000 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23531208 0.81 KMT2A (0.51) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL31373280 0.78 CNR2 (0.45) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL20292825 0.75 MAPT (0.48) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL31373261 0.73 ALDH1A1 (0.45) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL8095201 0.72 MAPT (0.50) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL10995884 0.71 MAPT (0.47) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL29834281 0.71 CNR2 (0.49) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL23531199 0.71 CNR2 (0.49) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL17131823 0.70 MAPT (0.72) KMT2AL3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL3984049 0.69 CYP1A2 (0.54) KMT2AL3MBTL1MAPTALDH1A1CYP1A2

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-2025027117-A1 CARBOXAMIDE-4-QUINOLINE COMPOUNDS WITH ANTHELMINTIC ACTIVITY INTERVET INTERNATIONAL B.V. (NL) 2025-02-06 WO disclosed