SCHEMBL21731047

SCHEMBL21731047

COc1cc(F)ccc1BO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ NFE2L2 Q16236 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL8228846 0.84 NFE2L2 (0.42) KDM4ENFE2L2MEN1MAPTHTT
SCHEMBL26025119 0.79 TDP1 (0.35) KDM4EMAPTHTTKMT2AFFAR1
SCHEMBL13083870 0.78 CA12 (0.56) NFE2L2MEN1MAPTHTTKMT2A
SCHEMBL16437067 0.74 FFAR1 (0.46) KDM4ENFE2L2MEN1MAPTKMT2A
SCHEMBL12268833 0.74 NFE2L2 (0.44) KDM4ENFE2L2MEN1MAPTKMT2A
SCHEMBL12662425 0.74 CA1 (0.55) KDM4ENFE2L2MAPTHTTKMT2A
SCHEMBL18472613 0.73 NFE2L2 (0.61) KDM4ENFE2L2FFAR1FFAR4CA1
SCHEMBL166380 0.73 NFE2L2 (0.61) KDM4ENFE2L2FFAR1FFAR4CA1
SCHEMBL1331704 0.72 MAOB (0.61) MEN1HTTKMT2ACA1CA2
SCHEMBL23875055 0.72 TP53 (0.42) KDM4ENFE2L2MAPTKMT2ACA1

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
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 — — EP disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 — — EP disclosed
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