SCHEMBL27141409

SCHEMBL27141409

CCCOc1ccc(CBr)c(C(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.46
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PLK1 P53350 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ KAT6A Q92794 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL14441468 0.88 KDM4E (0.48) PLK1KMT2ALMNAHIF1AALDH1A1
SCHEMBL30966104 0.87 MAPT (0.46) MAOAMAOBMAPTLMNAL3MBTL1
SCHEMBL27433301 0.87 MAPT (0.46) MAOAMAOBMAPTLMNAL3MBTL1
SCHEMBL27433526 0.86 MAPT (0.42) PLA2G2AMAOAMAOBMAPTLMNA
SCHEMBL27433446 0.86 MAOB (0.43) PLA2G2AMAOAMAOBMAPTLMNA
SCHEMBL30966089 0.86 MAOB (0.43) PLA2G2AMAOAMAOBMAPTLMNA
SCHEMBL18199320 0.83 PLA2G2A (0.50) PLA2G2AMAOAMAOBMAPTPLK1
SCHEMBL149036 0.83 KDM4E (0.55) PLA2G2AMAPTKMT2ALMNAALDH1A1
SCHEMBL28281865 0.82 PLA2G2A (0.47) PLA2G2AMAOAMAOBMAPTPLK1
SCHEMBL12687065 0.81 MAOA (0.51) PLA2G2AMAOAMAOBMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 — — EP disclosed
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
Send feedback