SCHEMBL21365548

SCHEMBL21365548

c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
MAPT P10636 6/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 4/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 5/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
BRCA1 P38398 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PLA2G10 O15496 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL21365545 1.00 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL24218132 1.00 TSHR (0.35) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL16811427 0.98 TSHR (0.34) TSHRPLA2G2APLA2G4AMAPTALOX5
SCHEMBL27444605 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444608 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444600 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444607 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444598 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444609 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB
SCHEMBL27444604 0.96 TSHR (0.33) TSHRKDM4EHSD17B10ALDH1A1POLB

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