SCHEMBL7693226

SCHEMBL7693226

CNOCc1cc(N)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 4/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2B P18089 1/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CACNA1C Q13936 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 1/20 0.32
MCL1 Q07820 1/20 0.31
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
SLC6A4 P31645 4/20 0.31
TAAR1 Q96RJ0 2/20 0.31
AGXT P21549 1/20 0.31

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
SCHEMBL1027259 0.79 MAPT (0.41) GAAMAPTTSHRMAPK1HTT
SCHEMBL8250805 0.76 IDO1 (0.40) GAAMAPTTSHRMAPK1HTT
SCHEMBL10061641 0.76 NOS1 (0.44) GAAMAPTTSHRMAPK1HTT
SCHEMBL23177788 0.74 IDO1 (0.39) GAAMAPTTSHRMAPK1HTT
SCHEMBL14042674 0.73 ALDH1A1 (0.58) GAAMAPTHTTIDO1ALDH1A1
SCHEMBL1467075 0.72 PRKCI (0.42) GAAMAPTTSHRMAPK1HTT
SCHEMBL30573342 0.72 PRKCI (0.42) GAAMAPTTSHRMAPK1HTT
SCHEMBL10079185 0.70 TAAR1 (0.43) GAAMAPTTSHRMAPK1HTT
SCHEMBL12844067 0.70 TAAR1 (0.38) GAAMAPTTSHRMAPK1HTT
SCHEMBL4525352 0.69 SLC6A4 (0.47) GAAMAPTALDH1A1PRKCIACHE

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-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed