SCHEMBL15775708

SCHEMBL15775708

N#Cc1cccnc1C#Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
IMPDH2 P12268 1/20 0.44
CYP3A4 P08684 1/20 0.44
FFAR1 O14842 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AKR1B1 P15121 1/20 0.43
AR P10275 1/20 0.43
FDFT1 P37268 1/20 0.43
MAPT P10636 4/20 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
SCHEMBL15775225 0.83 APP (0.43) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL30521933 0.83 APP (0.43) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL15775434 0.81 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14786201 0.78 MAOB (0.71) MAOBPTPN1PTPN6PTPN11FFAR1
SCHEMBL15775600 0.76 NPC1 (0.47) MAOBFFAR1RAB9AMAOANPC1
SCHEMBL22271110 0.76 GRM5 (0.37) MAOBKDM4E
SCHEMBL15775456 0.76 APP (0.45) CYP3A4CYP1A2CYP2C19MAPTRAB9A
SCHEMBL15776051 0.76 ALDH1A1 (0.42) CYP3A4CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL403151 0.75 MAOB (1.00) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL4034458 0.74 MAOB (0.51) MAOBIMPDH2CYP3A4RAB9AL3MBTL1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed