SCHEMBL24949022

SCHEMBL24949022

BC(=O)OCCOc1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOA P21397 9/20 0.42
MAOB P27338 9/20 0.42
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
ACSL1 P33121 2/20 0.39
ACSL6 Q9UKU0 2/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 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
SCHEMBL24949252 0.92 KDM4E (0.57) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL11994246 0.85 THRB (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL24946576 0.85 KDM4E (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338896 0.84 TDP1 (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL10050658 0.83 KDM4E (0.44) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338865 0.83 KDM4E (0.57) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL18256272 0.82 MAPT (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19699817 0.82 KDM4E (0.59) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338844 0.81 KDM4E (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338845 0.81 KDM4E (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A

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
US-20230032881-A1 ACTIVE ENERGY RAY POLYMERIZATION INITIATOR, ACTIVE ENERGY RAY CURING COMPOSITION, ACTIVE ENERGY RAY CURING INK, AQUEOUS ACTIVE ENERGY RAY CURING INK, CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND METHOD OF MANUFACTURING ACTIVE ENERGY RAY POLYMERIZATION INITIATOR RICOH COMPANY, LTD. (JP) 2023-02-02 US disclosed