SCHEMBL21365780

SCHEMBL21365780

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6ccc54)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
MAPT P10636 9/20 0.34
ALDH1A1 P00352 7/20 0.34
LMNA P02545 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 3/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL18124840 0.92 KDM4E (0.37) TSHRMAPTALDH1A1KDM4EHSD17B10
SCHEMBL18593827 0.92 KDM4E (0.37) TSHRMAPTALDH1A1KDM4EHSD17B10
SCHEMBL21365781 0.92 MAPT (0.34) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL24914776 0.91 TSHR (0.36) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL20988516 0.91 TSHR (0.37) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL17809393 0.91 MAPT (0.33) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL24914616 0.91 KDM4E (0.34) TSHRALDH1A1KDM4EHSD17B10POLB
SCHEMBL15786106 0.90 TSHR (0.35) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL15248657 0.90 ALOX5 (0.36) TSHRMAPTALDH1A1LMNAKDM4E
SCHEMBL15786104 0.89 TSHR (0.35) TSHRMAPTALDH1A1LMNAKDM4E

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 6 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-11374178-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-06-28 US 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
EP-3605634-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2020-02-05 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