SCHEMBL23022682

SCHEMBL23022682

Nc1ccc2c(c1)-c1cccc3cccc-2c13

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
HSD17B10 Q99714 6/20 0.58
TSHR P16473 4/20 0.58
MAPK1 P28482 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
CASP1 P29466 5/20 0.58
HPGD P15428 3/20 0.58
CASP7 P55210 3/20 0.58
HIF1A Q16665 3/20 0.58
TP53 P04637 2/20 0.58
PTPRC P08575 2/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
APAF1 O14727 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
SCHEMBL20749398 0.81 PTPRC (0.77) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL1577948 0.81 PTPRC (0.77) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL28904236 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL30030238 0.79 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL3989714 0.79 PTPRC (0.57) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL31530764 0.79 PTPRC (0.57) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL23022693 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRMAPK1L3MBTL1
SCHEMBL10825616 0.78 PTPRC (0.64) ALDH1A1HSD17B10TSHRMAPK1CASP1
SCHEMBL18799195 0.78 PTPRC (0.64) ALDH1A1HSD17B10TSHRMAPK1CASP1
SCHEMBL2447985 0.78 PTPRC (0.64) ALDH1A1HSD17B10TSHRMAPK1CASP1

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
WO-2021033728-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-02-25 WO disclosed