SCHEMBL28005396

SCHEMBL28005396

Cc1cc(C)[nH]n1.c1nncnn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
DAO P14920 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALPL P05186 2/20 0.37
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALK Q9UM73 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 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
SCHEMBL28351086 1.00 HCAR2 (0.40) HCAR2DAOL3MBTL1ALPLNPC1
SCHEMBL1503 0.89
SCHEMBL28959328 0.87 HCAR2 (0.44) HCAR2DAOL3MBTL1ALPLNPC1
SCHEMBL30802139 0.87
SCHEMBL28054863 0.87
Potassium SCHEMBL30471622 0.87
SCHEMBL28852463 0.87 HCAR2 (0.44) HCAR2DAOL3MBTL1ALPLNPC1
SCHEMBL29150915 0.87
SCHEMBL30404482 0.87
Ammonia Solution, Strong SCHEMBL28254978 0.87

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315746-A 3, 6-bis (dinitromethyl) -1,2,4, 5-tetrazine and synthetic method thereof 南京理工大学 2022-04-12 CN claimed
CN-110124615-B Porous carbon-based adsorbent for gas adsorption and preparation method thereof 湘潭大学 2021-09-24 CN claimed
CN-111995802-B Raw material composition, rubber material, and preparation method and application thereof 华东理工大学 2021-09-10 CN claimed
CN-111995802-A Raw material composition, rubber material, and preparation method and application thereof 华东理工大学 2020-11-27 CN claimed
CN-109192996-B Spherical nitrogen-doped carbon-supported cobalt-based oxygen reduction catalyst and preparation method and application thereof 湘潭大学 2020-07-03 CN claimed
CN-109037716-B Nitrogen-doped carbon-supported iron-based oxygen reduction catalyst and preparation method and application thereof 湘潭大学 2020-06-16 CN claimed
CN-108598512-B Nitrogen-doped carbon sphere oxygen reduction catalyst and preparation method and application thereof 湘潭大学 2020-04-28 CN claimed
CN-104447074-A Preparation method and application of green and environment-friendly and composite functional plant leaf fertilizer YOU SUMEI 2015-03-25 CN claimed
CN-110813362-B High-nitrogen-content carbon nanotube catalyst and preparation method and application thereof 湘潭大学 2022-09-20 CN disclosed
CN-114315746-A 3, 6-bis (dinitromethyl) -1,2,4, 5-tetrazine and synthetic method thereof 南京理工大学 2022-04-12 CN disclosed
CN-110124615-B Porous carbon-based adsorbent for gas adsorption and preparation method thereof 湘潭大学 2021-09-24 CN disclosed
CN-110124615-B Porous carbon-based adsorbent for gas adsorption and preparation method thereof 湘潭大学 2021-09-24 CN disclosed
CN-111995802-B Raw material composition, rubber material, and preparation method and application thereof 华东理工大学 2021-09-10 CN disclosed
CN-111995802-A Raw material composition, rubber material, and preparation method and application thereof 华东理工大学 2020-11-27 CN disclosed
CN-108598512-B Nitrogen-doped carbon sphere oxygen reduction catalyst and preparation method and application thereof 湘潭大学 2020-04-28 CN disclosed
CN-108598512-B Nitrogen-doped carbon sphere oxygen reduction catalyst and preparation method and application thereof 湘潭大学 2020-04-28 CN disclosed
CN-110813362-A High-nitrogen-content carbon nanotube catalyst and preparation method and application thereof 湘潭大学 2020-02-21 CN disclosed
CN-109192996-A A kind of spherical nitrogen-doped carbon-supported cobalt-based oxygen reduction catalyst and its preparation method and application 湘潭大学 2019-01-11 CN disclosed
CN-109037716-A A kind of iron-based oxygen reduction catalyst of nitrogen-doped carbon-supported and its preparation method and application 湘潭大学 2018-12-18 CN disclosed
CN-104447074-A Preparation method and application of green and environment-friendly and composite functional plant leaf fertilizer YOU SUMEI 2015-03-25 CN disclosed