SCHEMBL30451809

SCHEMBL30451809

Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.41
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
FER P16591 2/20 0.38
CDK2 P24941 2/20 0.38
MARK3 P27448 2/20 0.38
FLT4 P35916 2/20 0.38
FLT3 P36888 2/20 0.38
CLK2 P49760 2/20 0.38
CSNK2A1 P68400 2/20 0.38
MAP4K2 Q12851 2/20 0.38
STK3 Q13188 2/20 0.38
CAMK2B Q13554 2/20 0.38
CAMK2G Q13555 2/20 0.38
DYRK1A Q13627 2/20 0.38
NTRK3 Q16288 2/20 0.38
MARK2 Q7KZI7 2/20 0.38

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
SCHEMBL20707497 1.00 DNMT1 (0.41) DNMT1MGLLALDH1A1MAPK1PRKD3
SCHEMBL29976046 0.95 ATM (0.42) DNMT1MGLLALDH1A1MAPK1PRKD3
SCHEMBL18918088 0.95 ATM (0.42) DNMT1MGLLALDH1A1MAPK1PRKD3
SCHEMBL26529663 0.94 DNMT1 (0.39) DNMT1MGLLALDH1A1MAPK1PRKD3
SCHEMBL5807147 0.91 GABRA1 (0.38) DNMT1MGLLALDH1A1IDO1TDO2
SCHEMBL25941989 0.90 KDM4E (0.41) DNMT1MGLLALDH1A1PRKD3MAP4K4
SCHEMBL1832121 0.90 DNMT1 (0.41) DNMT1ALDH1A1DNM1IDO1TDO2
SCHEMBL1832122 0.88 DNMT1 (0.38) DNMT1MGLLALDH1A1MAPK1PRKD3
SCHEMBL18689395 0.86 KDM4E (0.42) MGLLALDH1A1MAPK1PRKD3MAP4K4
SCHEMBL30524996 0.85 IDO1 (0.38) DNMT1PRKD3MAP4K4FERCDK2

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-111164777-B Organic light emitting device 株式会社LG化学 2023-06-20 CN disclosed