SCHEMBL28898940

SCHEMBL28898940

c1ccc2c(-c3ccc4c([nH]c5ccccc54)c3-c3cccc4c3[nH]c3ccccc34)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.57
BCHE P06276 1/20 0.55
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
MAOA P21397 1/20 0.46
PARP14 Q460N5 10/20 0.44

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
SCHEMBL3269361 0.94 KIF11 (0.57) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL14672591 0.90 GABRP (0.53) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL30332634 0.88 KIF11 (0.51) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL147411 0.87 BCHE (0.64) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL29986487 0.87 BCHE (0.64) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL3269364 0.86 KIF11 (0.49) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL28636334 0.85 BCHE (0.59) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL11145174 0.85 KIF11 (0.54) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL20334721 0.84 BCHE (0.55) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL17322149 0.84 KIF11 (0.53) KIF11BCHEGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747937-B 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-01-14 CN claimed
CN-111747936-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2021-10-22 CN claimed
CN-111747936-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN claimed
CN-111747933-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN claimed
CN-111747937-A 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN claimed