SCHEMBL19507873

SCHEMBL19507873

c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3ccc4ccccc4c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL24104899 0.97 HSD17B10 (0.40) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL24275572 0.92 HSD17B10 (0.39) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL22425463 0.92 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL19655119 0.92 HSD17B10 (0.46) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21709024 0.92 CASP1 (0.46) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL22425385 0.91 HSD17B10 (0.36) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL24274933 0.90 HSD17B10 (0.37) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL21168811 0.90 KDM4E (0.39) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL22425390 0.89 GSR (0.37) HSD17B10CASP1HRH4KDM4EALDH1A1
SCHEMBL24037047 0.89 CASP1 (0.38) HSD17B10CASP1HRH4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021251661-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-16 WO disclosed
WO-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 WO disclosed
US-20190131542-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2019-05-02 US disclosed
WO-2017183859-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-26 WO disclosed