SCHEMBL31373261

SCHEMBL31373261

O=[N+]([O-])c1cnc2c(Br)c(F)ccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
TDP1 Q9NUW8 6/20 0.45
LMNA P02545 4/20 0.45
PKM P14618 3/20 0.45
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
CASP6 P55212 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
BLM P54132 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
CTSB P07858 5/20 0.39
GAA P10253 1/20 0.39
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL21494363 0.77 MEN1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21050903 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL22118253 0.76 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL30998006 0.75 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31373294 0.75 KDM4E (0.38) ALDH1A1KDM4EL3MBTL1THRBCYP2C9
SCHEMBL27094393 0.75 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10835047 0.74 GPR35 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21050936 0.73 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL30077753 0.73 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31373281 0.73 KMT2A (0.46) ALDH1A1MAPTKMT2ALMNAPKM

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