SCHEMBL29324517

SCHEMBL29324517

C=Cc1cccnc1-c1ncccc1C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
AGER Q15109 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL24179779 0.82 ALDH1A1 (0.41) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL12508229 0.75 CYP2A6 (0.46) KDM4EALDH1A1TSHRTRIM24TRIM33
SCHEMBL18901693 0.75 ALDH1A1 (0.33) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL489258 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTTSHR
SCHEMBL9246872 0.74 ALDH1A1 (0.43) KDM4EALDH1A1CYP3A4MAPTTSHR
SCHEMBL31628026 0.70 ALDH1A1 (0.41) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL398500 0.69 PTGS1 (0.39) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL9453571 0.69 PTPRC (0.42) TDP1ALDH1A1BLMTRIM24TRIM33
SCHEMBL28560972 0.69 ALDH1A1 (0.34) ALDH1A1CYP3A4
SCHEMBL1683154 0.69 ALDH1A1 (0.34) ALDH1A1CYP3A4

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
EP-4400907-A1 LIGHT VALVE DEVICE, LIGHT CONTROL PARTICLES, AND PREPARATION METHOD THEREFOR Zhejiang Jingyi New Material Technology Co. Ltd (CN) 2024-07-17 EP disclosed