SCHEMBL30913239

SCHEMBL30913239

COC(=O)C(C=O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.36
LY96 Q9Y6Y9 1/20 0.36

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
SCHEMBL2559963 1.00 CYP2C19 (0.47) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL28302150 0.85 PIN1 (0.44) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL8464873 0.83 KMT2A (0.46) KMT2AHTTALDH1A1MEN1
SCHEMBL16416520 0.80 HTT (0.39) CYP2C19CYP2C9KMT2AHTTALDH1A1
SCHEMBL649031 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL1345452 0.79 CYP2C19 (0.49) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL9126501 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL31383801 0.79 CYP2C19 (0.49) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL30078420 0.79 CYP2C19 (0.46) CYP2C19CYP2C9KMT2AHTTPOLB
SCHEMBL30574489 0.77 CYP2C19 (0.44) CYP2C19CYP2C9KMT2AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 CN disclosed
CN-118265698-A Process for preparing indole-3-carboxylic acid derivatives 科学与工业研究会(按照印度社会团体注册法案(1860年第21号法案)设立的注册机构) 2024-06-28 CN disclosed