SCHEMBL9420180

SCHEMBL9420180

C=CC(=O)NNc1nc(N)nc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.38
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL93702 0.80 TGM2 (0.39) CYP1A2ALDH1A1TSHRMAPK1TDP1
SCHEMBL22356329 0.76 TGM2 (0.39) ALDH1A1TSHRMAPK1TDP1
SCHEMBL5480214 0.75 CYP1A2 (0.40) CYP1A2GAAATM
SCHEMBL517626 0.75 ALDH1A1 (0.39) CYP1A2ALDH1A1GAAATM
SCHEMBL8962232 0.73 MAPK1 (0.50) CYP1A2ALDH1A1TSHRMAPK1TDP1
SCHEMBL9063318 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3355707 0.73 XPO1 (0.39) XPO1
Acrylamide SCHEMBL5916272 0.69 ALDH1A1 (0.61) CYP1A2ALDH1A1TSHR
Acrylic Acid SCHEMBL11334730 0.69 LMNA (0.56) CYP1A2ALDH1A1TSHRMAPK1TDP1
Acrylic Acid SCHEMBL105685 0.69 LMNA (0.56) CYP1A2ALDH1A1TSHRMAPK1TDP1

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
CN-109985652-B Photocatalyst and preparation method and application thereof 中国海洋大学 2021-10-12 CN disclosed
CN-109985652-A A kind of photochemical catalyst and preparation method thereof, application 中国海洋大学 2019-07-09 CN disclosed
US-5276104-A Copolymers with vinyl esters, vinylaromatics and hydroxyalkyl esters of unsaturated carboxylic acids BASF Lacke+ Farben Aktiengesellschaft[DE/DE (DE) 1994-01-04 US disclosed