SCHEMBL30816313

SCHEMBL30816313

COc1ccc(CC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.64
▸ GAA P10253 1/20 0.64
▸ THRB P10828 2/20 0.59
▸ GFER P55789 1/20 0.53
▸ HTT P42858 2/20 0.53
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.47
▸ ATM Q13315 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
SCHEMBL29165586 0.82 MAPT (0.62) MAPTGAATHRBHTTLMNA
SCHEMBL29165624 0.80 MAPT (0.63) MAPTTHRBHTTLMNAALDH1A1
SCHEMBL29165633 0.78 MAPT (0.65) MAPTTHRBHTTLMNAALDH1A1
SCHEMBL20116598 0.75 MAPT (0.55) MAPTGAATHRBHTTLMNA
SCHEMBL20116596 0.75 MAPT (0.60) MAPTGAATHRBHTTLMNA
SCHEMBL30816312 0.74 MAPT (0.57) MAPTHTTLMNAALDH1A1NPC1
SCHEMBL17115031 0.73 MAPT (0.58) MAPTGAATHRBHTTLMNA
SCHEMBL30584898 0.72 MAPT (0.64) MAPTGAATHRBHTTLMNA
SCHEMBL17100634 0.72 MAPT (0.65) MAPTGAATHRBLMNAALDH1A1
SCHEMBL7076852 0.72 MAPT (0.54) MAPTGAATHRBLMNAALDH1A1

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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