SCHEMBL26416283

SCHEMBL26416283

NC(=O)c1ccnn1C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
KMT2A Q03164 5/20 0.43
PKM P14618 2/20 0.43
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
AURKA O14965 1/20 0.39
CDK1 P06493 1/20 0.39
AURKB Q96GD4 1/20 0.39
PIK3CD O00329 2/20 0.39
HCAR3 P49019 2/20 0.37

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
SCHEMBL14335305 0.98 NR3C2 (0.48) NR3C2KMT2APKMBRD4MEN1
SCHEMBL26396444 0.96 NR3C2 (0.46) NR3C2KMT2APKMBRD4MEN1
SCHEMBL4043341 0.93 KMT2A (0.43) NR3C2KMT2APKMBRD4MEN1
SCHEMBL14335158 0.89 KMT2A (0.54) NR3C2KMT2A
SCHEMBL22637693 0.86 KMT2A (0.46) NR3C2KMT2APKMBRD4MEN1
SCHEMBL29629510 0.85 MEN1 (0.61) NR3C2KMT2APKMMEN1ALDH1A1
SCHEMBL29629580 0.84 OPRM1 (0.43) NR3C2KMT2APKMMEN1ALDH1A1
SCHEMBL26690735 0.84 KMT2A (0.45) NR3C2KMT2APKMBRD4MEN1
SCHEMBL14335095 0.83 GAA (0.62) NR3C2KMT2APKMMEN1ALDH1A1
SCHEMBL30875144 0.83 PARP1 (0.44) NR3C2KMT2APKMMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed