SCHEMBL28097852

SCHEMBL28097852

Nc1cccc2ccccc12.c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 6/20 0.79
ALDH1A1 P00352 4/20 0.79
HPGD P15428 4/20 0.79
HSD17B10 Q99714 3/20 0.79
CYP3A4 P08684 2/20 0.79
TSHR P16473 2/20 0.79
ATM Q13315 2/20 0.79
TP53 P04637 2/20 0.79
ALOX15 P16050 2/20 0.79
KDM4E B2RXH2 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
GAA P10253 3/20 0.62
KMT2A Q03164 3/20 0.62
GLA P06280 1/20 0.62
RECQL P46063 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KEAP1 Q14145 1/20 0.61
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60

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
Diphenylamine SCHEMBL11616628 0.89 ALDH1A1 (0.71) CDC25BALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL19796 0.89 ALDH1A1 (1.00) CDC25BALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL29350230 0.89 ALDH1A1 (1.00) CDC25BALDH1A1HPGDHSD17B10CYP3A4
Aniline SCHEMBL8010652 0.87 ALDH1A1 (0.81) CDC25BALDH1A1HPGDHSD17B10CYP3A4
Hydrogen Sulfide SCHEMBL28156320 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL28286951 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4
Diphenylamine SCHEMBL1072941 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27924058 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4
Ammonia Solution, Strong SCHEMBL20918916 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL7408656 0.87 ALDH1A1 (0.96) CDC25BALDH1A1HPGDHSD17B10CYP3A4

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-109796638-A Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2019-05-24 CN disclosed
CN-109721771-A Rubber composition and pneumatic tire 住友橡胶工业株式会社 2019-05-07 CN disclosed
CN-108884406-A Lubricating oil composition and metal working method 出光兴产株式会社 2018-11-23 CN disclosed
CN-108884412-A Mineral base oil, lubricating oil composition, machine, lubricating method, and grease composition 出光兴产株式会社 2018-11-23 CN disclosed
CN-108841433-A A kind of insulating mineral oil and preparation method thereof applied to lithium battery cooling 南通鼎鑫电池有限公司 2018-11-20 CN disclosed
CN-108699473-A Lubricating oil composition and method for producing same 出光兴产株式会社 2018-10-23 CN disclosed
CN-108368445-A Mineral base oil, lubricating oil composition, internal combustion engine, and method for lubricating internal combustion engine 出光兴产株式会社 2018-08-03 CN disclosed
CN-105051219-B heat treatment oil composition 出光兴产株式会社 2017-09-12 CN disclosed
CN-106065087-A Flame retardant flame retardant composition and molded body and manufacturing method thereof 双键化工(上海)有限公司 2016-11-02 CN disclosed