SCHEMBL29620540

SCHEMBL29620540

Clc1cccc(-c2ncnc(-c3ccccc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.48
DPP4 P27487 1/20 0.48
KMO O15229 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ADORA1 P30542 3/20 0.46
ADORA2A P29274 2/20 0.46
CYP19A1 P11511 1/20 0.46
IDO1 P14902 3/20 0.46
SCN2A Q99250 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL28426158 0.96 NR1I3 (0.46) NR1I3DPP4KMONPC1TP53
SCHEMBL23277171 0.93 MAP4K4 (0.47) NR1I3DPP4KMONPC1TP53
SCHEMBL23277208 0.93 MAP4K4 (0.49) DPP4KMONPC1TP53TSHR
SCHEMBL20150033 0.88 NR1I3 (0.57) NR1I3DPP4NPC1TP53TSHR
SCHEMBL30035200 0.88 NR1I3 (0.57) NR1I3DPP4NPC1TP53TSHR
SCHEMBL15477947 0.88 NR1I3 (0.57) NR1I3DPP4NPC1TP53TSHR
SCHEMBL30986825 0.86 NR1I3 (0.55) NR1I3DPP4NPC1TP53TSHR
SCHEMBL30986826 0.86 NR1I3 (0.55) NR1I3DPP4NPC1TP53TSHR
SCHEMBL27740602 0.85 CYP19A1 (0.46) NR1I3KMONPC1TP53TSHR
SCHEMBL17416282 0.85 NR1I3 (0.54) NR1I3DPP4NPC1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940412-A Fluoranthene derivative, light-emitting element, and photoelectric conversion element 东丽先端材料研究开发(中国)有限公司 2024-04-26 CN disclosed
CN-110890472-B Organic electroluminescent material and device 环球展览公司 2024-04-02 CN disclosed
CN-117229267-A Multiple host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-12-15 CN disclosed
CN-113173889-B Method for synthesizing 1,3, 5-triazine derivative 新乡市润宇新材料科技有限公司 2023-11-10 CN disclosed
CN-116156929-A Organic electroluminescent element 索路思高新材料有限公司 2023-05-23 CN disclosed
CN-116082369-A Organic electroluminescent material based on triazolopyridine and organic electroluminescent device 武汉尚赛光电科技有限公司 2023-05-09 CN disclosed
CN-114853745-A Organic electroluminescent material and device 环球展览公司 2022-08-05 CN disclosed
CN-114555566-A Organic compound and organic electroluminescent element comprising same 索路思高新材料有限公司 2022-05-27 CN disclosed