SCHEMBL38652147

SCHEMBL38652147

Fc1ccc(Br)cc1C1=NCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 11/20 0.46
CHRNA3 P32297 11/20 0.46
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC7 Q8WUI4 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 1/20 0.33
AMY1A P0DUB6 1/20 0.33
NMUR2 Q9GZQ4 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL22300218 0.86 CHRNB4 (0.50) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL1429750 0.82 CHRNB4 (0.49) CHRNB4CHRNA3HDAC8ALDH1A1CYP1A2
SCHEMBL29420191 0.82 CHRNB4 (0.49) CHRNB4CHRNA3HDAC8ALDH1A1CYP1A2
SCHEMBL22097362 0.82 CHRNB4 (0.49) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL22097422 0.79 NISCH (0.51) CHRNB4CHRNA3HDAC8ALDH1A1CYP1A2
SCHEMBL30029405 0.79 CHRNB4 (0.46) CHRNB4CHRNA3GABRA1GABRA5GABRA3
Methyl Alcohol SCHEMBL28796119 0.78 CHRNB4 (0.45) CHRNB4CHRNA3ALDH1A1THRBMAPT
SCHEMBL17353143 0.77 CHRNB4 (0.56) CHRNB4CHRNA3HDAC8ALDH1A1THRB
SCHEMBL13740749 0.76 CHRNB4 (0.46) CHRNB4CHRNA3HDAC8HDAC7ALDH1A1
SCHEMBL29833755 0.74 CHRNB4 (0.52) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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
CN-122010910-A Biazacycloalkane Menin-MLL protein inhibitor, pharmaceutical composition and application thereof 赛诺哈勃药业(成都)有限公司 2026-05-12 CN disclosed