SCHEMBL21365546

SCHEMBL21365546

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
TSHR P16473 4/20 0.35
HPGD P15428 3/20 0.35
CHEK2 O96017 1/20 0.35
MAPT P10636 8/20 0.34
KDM4E B2RXH2 5/20 0.33
LMNA P02545 5/20 0.33
KMT2A Q03164 5/20 0.33
POLB P06746 4/20 0.33
MEN1 O00255 4/20 0.33
HSD17B10 Q99714 3/20 0.33
BRCA1 P38398 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRF P10586 3/20 0.33
PTPN2 P17706 3/20 0.33
PTPN1 P18031 3/20 0.33

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
SCHEMBL27444658 0.96 ALDH1A1 (0.34) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL17827323 0.96 ALDH1A1 (0.35) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL27444650 0.95 ALDH1A1 (0.34) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL15785856 0.95 ALDH1A1 (0.34) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL17827274 0.95 CHEK2 (0.33) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL27444406 0.95 KDM4E (0.36) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL17246152 0.94 TSHR (0.38) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL15625590 0.94 PTPRF (0.34) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL21365800 0.94 ALDH1A1 (0.34) ALDH1A1TSHRHPGDCHEK2MAPT
SCHEMBL16160478 0.94 CHEK2 (0.34) ALDH1A1TSHRHPGDCHEK2MAPT

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 3 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
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