SCHEMBL29580452

SCHEMBL29580452

CN1CC2CCC1CN2c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2C P18825 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
HRH4 Q9H3N8 1/20 0.35
BRAF P15056 1/20 0.35
KCNH2 Q12809 3/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL21641736 0.86 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL2729685 0.86 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL27393647 0.86 KCNH2 (0.44) KDM4EGAAMAPTGFERALDH1A1
SCHEMBL6619144 0.84 MAPT (0.38) SOS1GAAMAPTALDH1A1HRH4
SCHEMBL24352932 0.83 KCNH2 (0.41) SOS1HRH4KCNH2L3MBTL1
SCHEMBL6620926 0.82 HRH4 (0.46) KMT2AHRH4MEN1
SCHEMBL25889734 0.82 CDK4 (0.38) SOS1HRH4BRAFKCNH2CHRNA7
SCHEMBL21142813 0.81 CHRNA7 (0.43) KCNH2CHRNA7
SCHEMBL25646900 0.81 CHRNA7 (0.43) KCNH2CHRNA7
SCHEMBL29310682 0.79 HSD11B1 (0.46) KDM4EGAAHRH4SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591334-B Dihydropyrazolopyrimidinone derivatives 山东轩竹医药科技有限公司 2023-10-20 CN disclosed
CN-114591334-A Dihydropyrazolopyrimidinone derivatives 山东轩竹医药科技有限公司 2022-06-07 CN disclosed