SCHEMBL19784826

SCHEMBL19784826

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4sc5ccccc5c4c4ccccc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
KDM4E B2RXH2 6/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL16867159 0.93 HSD17B10 (0.37) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL16582335 0.92 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL22199870 0.90 HSD17B10 (0.35) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL22011376 0.89 HSD17B10 (0.33) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL19985985 0.89 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL19784520 0.87 HSD17B10 (0.34) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL19985997 0.87 HSD17B10 (0.34) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL17660986 0.87 HSD17B10 (0.34) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL24171801 0.85 HSD17B10 (0.33) HSD17B10CASP1HRH4KDM4EHPGD
SCHEMBL22199876 0.85 ESR1 (0.33) HSD17B10CASP1HRH4KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190229271-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRONIC ELEMENT DUK SAN NEOLUX CO., LTD. (KR) 2019-07-25 US disclosed
WO-2018012780-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2018-01-18 WO disclosed