SCHEMBL29165633

SCHEMBL29165633

COc1ccc(CC(=O)N2CCN(c3nc(-c4ccccc4)no3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.65
▸ LMNA P02545 5/20 0.65
▸ HTT P42858 3/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ TP53 P04637 5/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ THRB P10828 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ ATM Q13315 1/20 0.54

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
SCHEMBL29165624 0.81 MAPT (0.63) MAPTLMNAHTTNPC1TP53
SCHEMBL31546316 0.80 MAPT (0.76) MAPTLMNAHTTNPC1TP53
SCHEMBL26306614 0.80 MAPT (0.65) MAPTLMNAHTTNPC1TP53
SCHEMBL31546324 0.78 MAPT (0.69) MAPTLMNAHTTNPC1TP53
SCHEMBL30816313 0.78 MAPT (0.64) MAPTLMNAHTTNPC1HSD17B10
SCHEMBL17100655 0.78 MAPT (0.66) MAPTLMNAHTTNPC1TP53
SCHEMBL31546336 0.78 MAPT (0.71) MAPTLMNAHTTNPC1TP53
SCHEMBL30584872 0.78 MAPT (0.71) MAPTLMNAHTTNPC1TP53
SCHEMBL30584994 0.77 MAPT (0.70) MAPTLMNAHTTNPC1TP53
SCHEMBL30584741 0.77 MAPT (0.62) MAPTLMNAHTTNPC1TP53

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-117503772-A Compound for inhibiting hepatitis B surface antigen and application thereof 重庆医科大学国际体外诊断研究院 2024-02-06 — — CN disclosed
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