SCHEMBL30816312

SCHEMBL30816312

Cc1ccc(OCC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HTT P42858 4/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ FKBP1A P62942 1/20 0.53
▸ ENPP2 Q13822 2/20 0.52
▸ NPSR1 Q6W5P4 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ CPT1A P50416 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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 0.79 MAPT (0.63) MAPTLMNAHTTNPC1POLB
SCHEMBL17100630 0.76 SMN1; SMN2 (0.59) MAPTLMNAHTTNPC1POLB
SCHEMBL17115031 0.75 MAPT (0.58) MAPTLMNAHTTNPC1NPSR1
SCHEMBL30584898 0.74 MAPT (0.64) MAPTLMNAHTTNPC1POLB
SCHEMBL30816313 0.74 MAPT (0.64) MAPTLMNAHTTNPC1ALDH1A1
SCHEMBL27979662 0.74 POLB (0.84) MAPTLMNAHTTPOLBALDH1A1
SCHEMBL18624608 0.74 MAPT (0.62) MAPTLMNAHTTNPC1SMN1; SMN2
SCHEMBL5060999 0.73 SMN1; SMN2 (0.77) MAPTLMNAPOLBALDH1A1HPGD
SCHEMBL31546316 0.72 MAPT (0.76) MAPTLMNAHTTNPC1POLB
SCHEMBL31546320 0.72 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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