SCHEMBL22689596

SCHEMBL22689596

CCCCCCN1c2ccccc2SC1SN

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.38
PDF Q9HBH1 1/20 0.38
CES1 P23141 2/20 0.37
CDC25A P30304 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH2 P05091 1/20 0.35
ALDH3A1 P30838 1/20 0.35
CNR2 P34972 3/20 0.34
PIM1 P11309 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL22689445 1.00 GSK3B (0.38) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL22689967 1.00 GSK3B (0.38) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL22689597 1.00 GSK3B (0.38) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL22689407 1.00 GSK3B (0.38) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL22689641 1.00 GSK3B (0.38) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL22689598 0.99 GSK3B (0.36) GSK3BPDFCES1CDC25AKDM4E
SCHEMBL9249337 0.94 KDM1A (0.40) GSK3BPDFKDM1AALDH1A1PIM1
SCHEMBL22689409 0.88 ALDH1A1 (0.37) GSK3BPDFKDM1AALDH1A1PIM1
SCHEMBL15493920 0.81 KDM1A (0.40) GSK3BPDFKDM1AALDH1A1
SCHEMBL10602240 0.80 GSK3B (0.41) GSK3BPDFCES1CDC25AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022080133-A1 RUBBER COMPOSITION FOR TIRE TREAD, AND TIRE 株式会社ブリヂストン 2022-04-21 WO disclosed
WO-2022071557-A1 RUBBER COMPOSITION, RUBBER COMPOSITION FOR TIRES, VULCANIZED RUBBER, RUBBER-METAL COMPOSITE BODY, TIRE, BELT FOR INDUSTRIAL USE, CRAWLER AND HOSE 株式会社ブリヂストン 2022-04-07 WO disclosed
WO-2022071560-A1 RUBBER COMPOSITION, RUBBER COMPOSITION FOR TIRES, VULCANIZED RUBBER, RUBBER-METAL COMPOSITE, TIRE, INDUSTRIAL BELT, CRAWLER, AND HOSE 株式会社ブリヂストン 2022-04-07 WO disclosed
WO-2022071558-A1 RUBBER COMPOSITION, RUBBER COMPOSITION FOR TIRE, VULCANIZED RUBBER, RUBBER-METAL COMPOSITE MATERIAL, TIRE, INDUSTRIAL BELT, CRAWLER AND HOSE 株式会社ブリヂストン 2022-04-07 WO disclosed
WO-2021066099-A1 RUN-FLAT TIRE 株式会社ブリヂストン 2021-04-08 WO disclosed
WO-2021066106-A1 RUBBER COMPOSITION AND RUN-FLAT TIRE 株式会社ブリヂストン 2021-04-08 WO disclosed
WO-2021029378-A1 STEEL CORD/RUBBER COMPOSITE, TIRE, CONVEYOR BELT, HOSE, AND RUBBER CRAWLER 株式会社ブリヂストン 2021-02-18 WO disclosed
WO-2020235230-A1 RUBBER COMPOSITION, RUBBER COMPOSITION FOR TIRE, AND TIRE 株式会社ブリヂストン (JP) 2020-11-26 WO disclosed