SCHEMBL4453014

SCHEMBL4453014

CN1C=CC(=C2C=CN(C)C=C2)C=C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.40
PSMD14 O00487 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
MGLL Q99685 1/20 0.30

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
Hydrochloric Acid SCHEMBL31376357 0.96 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL6901197 0.96 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
Bromide SCHEMBL31051045 0.96 MEN1 (0.93) MEN1KMT2ATDP1NPC1TP53
SCHEMBL21993451 0.85 MEN1 (0.72) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL30758782 0.79 MEN1 (0.62) MEN1KMT2ATDP1NPC1TP53
SCHEMBL16649164 0.79 MEN1 (0.62) MEN1KMT2ATDP1NPC1TP53
Hydrochloric Acid SCHEMBL30184811 0.75 MEN1 (0.56) MEN1KMT2ATDP1NPC1TP53
SCHEMBL30241688 0.75 MEN1 (0.56) MEN1KMT2ATDP1NPC1TP53
SCHEMBL31065590 0.65 MEN1 (0.47) MEN1KMT2ATDP1
SCHEMBL22274836 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114538715-A Process for treating wastewater from synthesis of N, N '-dimethyl-4, 4' -bipyridine cation salt 安徽国星生物化学有限公司 2022-05-27 CN claimed
CN-110305173-A A kind of tricarboxylic acid Co (II) thermochromism complex crystal and preparation method thereof containing purpurine 淮阴师范学院 2019-10-08 CN claimed
CN-104320972-A Herbicidal composition comprising uracil compound as active ingredient DONGBU FARM HANNONG CO LTD 2015-01-28 CN claimed
EP-0174101-B1 SOLID HERBICIDAL COMPOSITIONS CONTAINING A BIPYRIDINIUM QUATERNARY SALT MERCK & CO. INC. (US) 1989-10-18 EP claimed
US-4764206-A Contradeglutitious solid herbicidal composition S D S BIOTECK K.K. (JP) 1988-08-16 US claimed
US-4153444-A Herbicidal composition KUMIAI CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1979-05-08 US claimed
US-4028091-A BIPYRIDYLIUM SALTS AND A THIOCARBAMATE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1977-06-07 US claimed
JP-57149209-A None JP disclosed
JP-62195302-A None JP disclosed
JP-59020268-A None JP disclosed
JP-54119030-A None JP disclosed
CN-118948818-A Paraquat antidote 西南大学 2024-11-15 CN disclosed
CN-118963033-A Electric/thermal double-response color-changing intelligent window and preparation method thereof 江南大学 2024-11-15 CN disclosed
US-4153444-A Herbicidal composition KUMIAI CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1979-05-08 US disclosed
US-4152230-A PHOTOOXIDATION PROCESS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-01 US disclosed
US-4151165-A USING AN AROMATIC NITRO COMPOUND IN OXYGEN-FREE, AQUEOUS ENVIRONMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-04-24 US disclosed
US-4127136-A Treatment of tobacco BRITISH-AMERICAN TOBACCO COMPANY LIMITED (GB) 1978-11-28 US disclosed
US-4118218-A HERBICIDES, COATING SOLID DILUENT PARTICLES WITH A BIPYRIDYLIUM DIQUATERNARY SALT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-10-03 US disclosed
US-4105433-A CARBOXAMIDO-TRIAZINE-DIONES; WEED GRASSES IN CROPS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-08 US disclosed
US-4028091-A BIPYRIDYLIUM SALTS AND A THIOCARBAMATE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1977-06-07 US disclosed