SCHEMBL9617019

SCHEMBL9617019

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ATM Q13315 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
XDH P47989 1/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49

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
SCHEMBL31521444 1.00 NOTUM (0.53) NOTUMKDM4EALDH1A1HSD17B10CA1
SCHEMBL851742 0.89 KDM4E (0.58) NOTUMKDM4EALDH1A1HSD17B10CA1
SCHEMBL15878431 0.86 NOTUM (0.53) NOTUMKDM4EALDH1A1HSD17B10CA1
SCHEMBL28058610 0.86 NOTUM (0.57) NOTUMKDM4EALDH1A1HSD17B10CA1
SCHEMBL4914225 0.86 KDM4E (0.46) NOTUMKDM4EALDH1A1HSD17B10CA1
SCHEMBL10400378 0.83 KDM4E (0.59) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL310059 0.82 MAPT (0.60) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL3767347 0.81 KDM4E (0.62) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL9080431 0.81 KDM4E (0.62) KDM4EALDH1A1HSD17B10CA1CA2
SCHEMBL30967314 0.81 KDM4E (0.62) KDM4EALDH1A1HSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4210687-A None JP disclosed
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
CN-109563094-A Acyclic derivatives, their preparation method and the pharmaceutical composition containing them that new (miscellaneous) aryl replaces 法国施维雅药厂 2019-04-02 CN disclosed
WO-2016001452-A1 COMPOUNDS, IN PARTICULAR FOR USE IN THE TREATMENT OF A DISEASE OR CONDITION FOR WHICH A BROMODOMAIN INHIBITOR IS INDICATED Universität Zürich (CH) 2016-01-07 WO disclosed
JP-H04210687-A HYDROISOCOUMARIN DERIVATIVE MITSUBISHI RAYON CO LTD 1992-07-31 JP disclosed