SCHEMBL2592231

SCHEMBL2592231

c1ccc(-c2ccccc2-c2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.58
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP2A6 P11509 1/20 0.50
TNF P01375 1/20 0.47
HPGD P15428 5/20 0.44
MAPK1 P28482 3/20 0.44
HIF1A Q16665 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP1 P29466 1/20 0.44
PAX8 Q06710 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL28589121 1.00 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2589946 1.00 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30332725 1.00 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL27631995 0.91 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL443518 0.91 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29732781 0.89 TNF (0.52) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL27620091 0.89 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29463735 0.89 TNF (0.52) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL623148 0.89 TNF (0.52) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL867854 0.89 TNF (0.52) ALDH1A1HSD17B10TSHRTDP1CYP2A6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813294-A Cyano-substituted heteroaromatic amine derivative and organic electroluminescent device comprising the same 株式会社乐普拓 2024-04-02 CN disclosed
CN-111217716-B Organic electroluminescent device and monoamine compound for organic electroluminescent device 三星显示有限公司 2023-11-03 CN disclosed
WO-2023171544-A1 MIXED POWDER, METHOD FOR MANUFACTURING MIXED POWDER, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-09-14 WO disclosed
CN-114375219-A Defoaming agent and aqueous coating composition 圣诺普科有限公司 2022-04-19 CN disclosed
CN-113024608-A Organic electroluminescent device and organometallic compound for organic electroluminescent device 三星显示有限公司 2021-06-25 CN disclosed
US-9269911-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-02-23 US disclosed
EP-2564441-A1 ORGANIC LIGHT-EMITTING DEVICE Canon Kabushiki Kaisha (JP) 2013-03-06 EP disclosed
US-20130037791-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011136156-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2011-11-03 WO disclosed