SCHEMBL28294206

SCHEMBL28294206

CC(Nc1ccccc1Br)[SH](=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ CXCR2 P25025 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL9908238 0.77 TDP1 (0.46) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL1983999 0.72 LMNA (0.47) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL3381057 0.72 LMNA (0.47) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL29430352 0.72 LMNA (0.47) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL13813004 0.71 PLK1 (0.41) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL30236919 0.71 HTR3E (0.41) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL15325740 0.69 ANPEP (0.49) ANPEPL3MBTL1ATMALDH1A1MAPT
SCHEMBL1335946 0.69 ALDH1A1 (0.54) L3MBTL1HTTKMT2AMEN1NPC1
SCHEMBL3671512 0.68 IDO1 (0.49) ANPEPL3MBTL1ATMHTTKMT2A
SCHEMBL28515596 0.68 HTR3E (0.36) ANPEPL3MBTL1ATMHTTKMT2A

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-107056799-B The double heptene sulfamide compounds of suberic acid monoanilide group oxygen bridge, its synthetic method, application and anti-breast cancer medicines composition 武汉宏兹生物技术有限公司 2019-06-14 — — CN disclosed
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