SCHEMBL24949252

SCHEMBL24949252

BC(=O)OCCOc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
ACSL1 P33121 2/20 0.41
ACSL6 Q9UKU0 2/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 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
SCHEMBL24946576 0.93 KDM4E (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL24949022 0.92 KDM4E (0.47) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL24946584 0.89 KDM4E (0.59) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL14209211 0.87 KDM4E (0.57) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL11994245 0.85 THRB (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL31271888 0.85 THRB (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL12994179 0.84 KDM4E (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL278707 0.84 KDM4E (0.53) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL7933557 0.84 KDM4E (0.62) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL10050649 0.83 KDM4E (0.53) 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