SCHEMBL31528239

SCHEMBL31528239

O=Cc1cccc(CN2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 1/20 0.56
HIF1A Q16665 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
HRH3 Q9Y5N1 3/20 0.50
CYP2C19 P33261 1/20 0.50
ACHE P22303 2/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7656309 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1CYP2D6CYP2C9
SCHEMBL3340879 0.98 PRMT6 (0.57) SMN1; SMN2ALDH1A1TDP1CYP2D6CYP2C9
SCHEMBL29442395 0.98 PRMT6 (0.57) SMN1; SMN2ALDH1A1TDP1CYP2D6CYP2C9
SCHEMBL3771382 0.87 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TDP1CYP2D6CYP2C9
SCHEMBL208910 0.85 NCF1 (0.62) SMN1; SMN2ALDH1A1KDM4EHRH3HTT
SCHEMBL31528286 0.85 NCF1 (0.62) SMN1; SMN2ALDH1A1KDM4EHRH3HTT
SCHEMBL31528202 0.84 MC4R (0.57) PRMT6HRH3
SCHEMBL2324451 0.84 SIGMAR1 (0.57) TDP1HRH3
SCHEMBL209815 0.84 MC4R (0.57) PRMT6HRH3
SCHEMBL13959137 0.84 HRH3 (0.58) HRH3

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-113454086-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-03-14 CN disclosed