SCHEMBL21365798

SCHEMBL21365798

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)c4)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
MAPT P10636 5/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 4/20 0.32
HSD17B10 Q99714 3/20 0.32
POLB P06746 3/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
BRCA1 P38398 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PLA2G10 O15496 1/20 0.32
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL23595263 1.00 TSHR (0.34) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL23595265 0.99 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALDH1A1
SCHEMBL21365797 0.99 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALDH1A1
SCHEMBL21365801 0.98 TSHR (0.35) TSHRMAPTALOX5ALDH1A1KDM4E
SCHEMBL25133004 0.98 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL21365793 0.98 TSHR (0.35) TSHRMAPTALOX5ALDH1A1KDM4E
SCHEMBL23595298 0.98 TSHR (0.35) TSHRMAPTALOX5ALDH1A1KDM4E
SCHEMBL25132949 0.97 TSHR (0.34) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL27444632 0.97 TSHR (0.34) TSHRMAPTALOX5ALDH1A1KDM4E
SCHEMBL25133222 0.97 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALOX5

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
EP-3767698-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-10-25 EP disclosed
US-20210119144-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-04-22 US disclosed
EP-3767698-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-01-20 EP disclosed
WO-2019176605-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル&マテリアル株式会社 2019-09-19 WO disclosed