SCHEMBL23708178

SCHEMBL23708178

Cc1ccc(-c2ccccc2Cl)cc1CN

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
MAOB P27338 2/20 0.47
PLA2G7 Q13093 1/20 0.47
PNMT P11086 2/20 0.46
TNKS2 Q9H2K2 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
CYP2A6 P11509 1/20 0.42
BACE1 P56817 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
CSNK2A1 P68400 2/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL3785259 0.84 DPP4 (0.57) DPP4PNMTTAAR1BACE1NOS3
SCHEMBL27781520 0.78 TNKS2 (0.53) MAOBPLA2G7TNKS2CYP2A6BACE1
SCHEMBL15354395 0.78 TNKS2 (0.53) MAOBPLA2G7TNKS2CYP2A6BACE1
SCHEMBL3784027 0.77 TAAR1 (0.48) DPP4TNKS2TAAR1BACE1
SCHEMBL9294904 0.74 DPP4 (0.57) DPP4PNMTTAAR1NOS3NOS1
SCHEMBL2549337 0.73 CYP2A6 (0.47) MAOBPLA2G7TNKS2CYP2A6BACE1
SCHEMBL5963942 0.71 TNKS2 (0.47) MAOBPLA2G7TNKS2CYP2A6BACE1
SCHEMBL2548717 0.71 AR (0.44) MAOBPLA2G7TNKS2CYP2A6BACE1
SCHEMBL2688813 0.71 MAOB (0.72) DPP4MAOBPNMTTAAR1CYP2A6
SCHEMBL12653047 0.70 CYP2A6 (0.47) DPP4MAOBTNKS2CYP2A6BACE1

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-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 WO disclosed