SCHEMBL30091505

SCHEMBL30091505

COC(=O)CCNC(=O)c1ccc(C)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ MTOR P42345 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PRSS1 P07477 1/20 0.44

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
SCHEMBL22273087 1.00 HPGD (0.58) HPGDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL451696 0.79 LMNA (0.54) ALDH1A1SMN1; SMN2MAPTHTTLMNA
SCHEMBL13753864 0.79 HPGD (0.68) HPGDALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL14120823 0.79 POLB (0.62) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL31055452 0.78 HPGD (0.59) HPGDALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL7249392 0.78 POLB (0.54) ALDH1A1MAPTHTTLMNARAB9A
SCHEMBL1459847 0.77 HPGD (0.58) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL14054136 0.76 PTPRC (0.47) HPGDALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2273935 0.75 PRSS1 (0.56) HPGDALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL6619861 0.75 HPGD (0.56) HPGDALDH1A1SMN1; SMN2MAPTHTT

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-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 — — CN disclosed
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