SCHEMBL29165624

SCHEMBL29165624

COc1ccc(CCC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.63
▸ LMNA P02545 6/20 0.63
▸ HTT P42858 5/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.58
▸ TSHR P16473 4/20 0.58
▸ ATM Q13315 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HPGD P15428 1/20 0.55
▸ TP53 P04637 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ THRB P10828 1/20 0.52
▸ FKBP1A P62942 1/20 0.52

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
SCHEMBL30584898 0.81 MAPT (0.64) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL29165633 0.81 MAPT (0.65) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL30816313 0.80 MAPT (0.64) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL31546316 0.79 MAPT (0.76) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL31546320 0.79 MAPT (0.75) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL30816312 0.79 MAPT (0.57) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL30584872 0.77 MAPT (0.71) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL31546336 0.77 MAPT (0.71) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL30584994 0.76 MAPT (0.70) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL25433114 0.75 MAPT (0.75) MAPTLMNAHTTNPC1ALDH1A1

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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