SCHEMBL21365552

SCHEMBL21365552

c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)n4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
MAPT P10636 11/20 0.37
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 2/20 0.33
CSF1R P07333 1/20 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
SCHEMBL15625585 1.00 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16160432 1.00 TSHR (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL31896 0.98 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL19474376 0.96 TSHR (0.36) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL26841921 0.95 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL19997868 0.94 TSHR (0.35) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16437627 0.94 ALDH1A1 (0.38) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16521301 0.94 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16521302 0.94 TSHR (0.40) TSHRMAPTALDH1A1KDM4EPOLB
SCHEMBL16810983 0.94 ALOX5 (0.38) TSHRMAPTALDH1A1KDM4EPOLB

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