SCHEMBL31185124

SCHEMBL31185124

SCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYP1A2 P05177 2/20 0.49
NCF1 P14598 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PDE10A Q9Y233 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL726551 1.00 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
Quinoline SCHEMBL28850528 0.89 ALDH1A1 (0.61) CYSLTR1CYSLTR2CYP1A2PDE10AGPBAR1
SCHEMBL5025561 0.83 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL30879956 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3267444 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL2913941 0.81 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL4938792 0.79 CYSLTR1 (0.55) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL6798820 0.77 CYSLTR2 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3294465 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL498405 0.77 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2NCF1NOS2

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-2024191956-A2 MALODOR COUNTERACTING COMPOSITION SKYESTER, INC. (US) 2024-09-19 WO disclosed