SCHEMBL28372149

SCHEMBL28372149

C=CC(=O)Nc1ccc(OCC2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.50
ACACB O00763 1/20 0.46
LMNA P02545 2/20 0.43
F13A1 P00488 1/20 0.43
TGM1 P22735 1/20 0.43
TGM3 Q08188 1/20 0.43
BTK Q06187 2/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL28371235 0.87 TGM2 (0.52) TGM2LMNAF13A1TGM1TGM3
SCHEMBL24968537 0.81 P2RX4 (0.51) EGFR
SCHEMBL183985 0.80 TGM2 (0.54) TGM2LMNAF13A1TGM1TGM3
SCHEMBL28371190 0.80 TGM2 (0.54) TGM2LMNAF13A1TGM1TGM3
SCHEMBL28371187 0.75 EGFR (0.60) TGM2LMNAF13A1TGM1TGM3
SCHEMBL28371176 0.75 TGM2 (0.48) TGM2LMNAF13A1TGM1TGM3
SCHEMBL12420708 0.74 PARP15 (0.58) ACACBPARP15PARP10PARP2
SCHEMBL23747582 0.73 RAB9A (0.53) LMNAMAPT
SCHEMBL1858579 0.73 PARP15 (0.57) LMNAPARP15PARP10PARP2FNTA
SCHEMBL8548307 0.73 TGM2 (0.68) TGM2LMNAF13A1TGM1TGM3

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-110981876-B 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2021-10-01 CN disclosed
CN-110981876-A 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2020-04-10 CN disclosed