SCHEMBL25614665

SCHEMBL25614665

Cc1ccn(-c2cncc(Br)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 7/20 0.38
CHRNA4 P43681 7/20 0.38
TDO2 P48775 1/20 0.38
CYP11B2 P19099 1/20 0.35
HDAC4 P56524 1/20 0.35
CYP2A6 P11509 1/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
PTGS2 P35354 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL17640922 0.82 RAB9A (0.48) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL25615031 0.79 CHRNB2 (0.38) HTTCHRNB2CHRNA4CYP11B2CYP2A6
SCHEMBL2690822 0.79 ELOVL1 (0.46) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL30474527 0.77 MAPT (0.50) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL5535694 0.77 MAPT (0.50) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL5544146 0.76 HTT (0.56) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL25614650 0.76 HTT (0.42) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935029 0.76 CYP11B2 (0.42) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL13274537 0.72 CHRNB2 (0.33) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25614666 0.72 HTT (0.39) RAB9AMAPTKDM4EALDH1A1GAA

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