SCHEMBL29595329

SCHEMBL29595329

COC(=O)c1c(Br)c2ncccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ POLB P06746 2/20 0.37
▸ NR1H2 P55055 7/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ DTYMK P23919 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ ATR Q13535 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20915455 1.00 KDM4E (0.40) KDM4EPOLBNR1H2ALOX15HTT
SCHEMBL26099585 0.87 L3MBTL1 (0.39) KDM4EPOLBNR1H2HTTGABRA5
SCHEMBL3028022 0.72 HTR6 (0.38) KDM4ENR1H2ALOX15HTTGABRG2
SCHEMBL3248285 0.72 L3MBTL1 (0.43) KDM4EPOLBDTYMKL3MBTL1GPR119
SCHEMBL30220573 0.71 MAPK14 (0.35) KDM4ENR1H2GABRG2GABRB3GABRA5
SCHEMBL29640143 0.71 POLB (0.41) KDM4EPOLBNR1H2DTYMKGPR119
SCHEMBL2361004 0.71 POLB (0.41) KDM4EPOLBNR1H2DTYMKGPR119
SCHEMBL27873298 0.71 CHRM2 (0.45) KDM4EPOLBNR1H2GABRG2GABRB3
SCHEMBL26097320 0.70 ALDH1A1 (0.36) KDM4ENR1H2HTTGABRA5L3MBTL1
SCHEMBL3030930 0.70 GABRG2 (0.34) NR1H2GABRG2GABRB3GABRA5ALDH1A1

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-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 — — CN disclosed
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