SCHEMBL7709590

SCHEMBL7709590

NC(=O)c1ccccc1Oc1nnc(Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.51
MAPT P10636 4/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PARP1 P09874 1/20 0.38
POLB P06746 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
SCHEMBL7693879 0.75 CTNNB1 (0.77) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL6653060 0.75 CTNNB1 (0.53) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL6630067 0.73 CTNNB1 (0.51) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL4155484 0.73 CTNNB1 (0.74) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL4150117 0.73 CHRM1 (0.57) CTNNB1MAPTMEN1KMT2ANR1I2
SCHEMBL4142669 0.72 CTNNB1 (0.67) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL30775031 0.72 CTNNB1 (0.67) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL6629599 0.72 CTNNB1 (0.53) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL6629908 0.71 CTNNB1 (0.51) CTNNB1MAPTIRAK4MEN1KMT2A
SCHEMBL6632911 0.71 CTNNB1 (0.51) CTNNB1MAPTIRAK4MEN1KMT2A

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-2002016357-A2 QUINUCLIDINE-SUBSTITUTED ARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed