SCHEMBL25614650

SCHEMBL25614650

C#Cc1cncc(-n2ccc(C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CHRNA3 P32297 6/20 0.39
CHRNB4 P30926 5/20 0.39
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA1 P02708 3/20 0.38
NPC1 O15118 2/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRND Q07001 1/20 0.38
CHRNA2 Q15822 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 1/20 0.36

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
SCHEMBL25615020 0.81 CHRNB4 (0.39) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL25614666 0.81 HTT (0.39) HTTRAB9AMAPTKDM4EALDH1A1
SCHEMBL25614665 0.76 RAB9A (0.43) HTTRAB9AMAPTKDM4EALDH1A1
SCHEMBL2690822 0.76 ELOVL1 (0.46) HTTRAB9AMAPTKDM4EALDH1A1
SCHEMBL25615106 0.73 CHRNA3 (0.42) HTTMAPTKDM4EALDH1A1CHRNA3
SCHEMBL25615105 0.72 CHRNA3 (0.39) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL25615104 0.72 CHRNA3 (0.39) CHRNA3CHRNB4CHRNB2CHRNA4CHRNA1
SCHEMBL15935029 0.72 CYP11B2 (0.42) HTTRAB9AMAPTKDM4EALDH1A1
SCHEMBL30811674 0.71 KDM4E (0.44) MAPTKDM4EALDH1A1GAACHRNA3
SCHEMBL25614588 0.71 KDM4E (0.44) MAPTKDM4EALDH1A1GAACHRNA3

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-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed