SCHEMBL29248337

SCHEMBL29248337

COc1cccc(C=C(C#N)C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 3/20 0.59
ATM Q13315 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
EGFR P00533 2/20 0.54
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 2/20 0.50
SLC16A3 O15427 2/20 0.50
SLC16A1 P53985 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
CISD1 Q9NZ45 1/20 0.50
MITF O75030 1/20 0.50
MDM2 Q00987 1/20 0.50

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
SCHEMBL21457318 0.87 ATM (0.57) KDM4EKMT2AALDH1A1MEN1ATM
SCHEMBL21457316 0.87 ATM (0.57) KDM4EKMT2AALDH1A1MEN1ATM
SCHEMBL23192716 0.87 CYP1A2 (0.66) KDM4EKMT2AALDH1A1MEN1ATM
SCHEMBL21637636 0.84 KDM4E (0.54) KDM4EKMT2AALDH1A1EGFRLMNA
SCHEMBL8645847 0.84 KDM4E (0.54) KDM4EKMT2AALDH1A1EGFRLMNA
SCHEMBL23572563 0.84 KDM4E (0.54) KDM4EKMT2AALDH1A1EGFRLMNA
SCHEMBL21457293 0.82 ALDH1A1 (0.60) KDM4EKMT2AALDH1A1MEN1ATM
SCHEMBL21457290 0.82 ALDH1A1 (0.60) KDM4EKMT2AALDH1A1MEN1ATM
SCHEMBL2179550 0.82 MAPT (0.71) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2179547 0.82 MAPT (0.71) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2

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-118076133-A Composite material, composition, preparation method of composite material, light-emitting device and display device TCL科技集团股份有限公司 2024-05-24 CN claimed
CN-118076133-A Composite material, composition, preparation method of composite material, light-emitting device and display device TCL科技集团股份有限公司 2024-05-24 CN disclosed