SCHEMBL23340415

SCHEMBL23340415

Nc1ccc2cc3c(I)cccc3cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
HSD17B10 Q99714 5/20 0.61
CASP1 P29466 5/20 0.61
CYP3A4 P08684 4/20 0.61
HIF1A Q16665 3/20 0.61
CASP7 P55210 3/20 0.61
HBB P68871 2/20 0.61
ALOX15 P16050 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PLAU P00749 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 7/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
HTR3A P46098 1/20 0.39
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL28810998 0.84 CTDSP1 (0.59) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL22356958 0.84 PLAU (0.59) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL30903863 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL31072226 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL5012443 0.82 ALDH1A1 (0.82) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL5012455 0.82 ALDH1A1 (0.82) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL5008739 0.82 ALDH1A1 (0.82) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL31108395 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL4614015 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CYP3A4HIF1A
SCHEMBL19230461 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10CASP1CYP3A4HIF1A

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-3442047-B1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed