SCHEMBL22689409

SCHEMBL22689409

CCCN1c2ccccc2SC1SN

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.34
PPARG P37231 1/20 0.34
KDM1A O60341 3/20 0.33
PDF Q9HBH1 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
PIM1 P11309 1/20 0.31
GSK3B P49841 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 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
SCHEMBL9249337 0.91 KDM1A (0.40) ALDH1A1POLBPKMTSHRMAOA
SCHEMBL22689598 0.90 GSK3B (0.36) ALDH1A1POLBPKMTSHRKDM1A
SCHEMBL22689407 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL22689641 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL22689597 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL22689445 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL22689967 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL22689596 0.88 GSK3B (0.38) ALDH1A1KDM1APDFPIM1GSK3B
SCHEMBL11805106 0.80 BCHE (0.36) ALDH1A1POLBPKMTSHRMAOA
SCHEMBL15493920 0.77 KDM1A (0.40) ALDH1A1POLBPKMTSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2021066099-A1 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