SCHEMBL22100418

SCHEMBL22100418

C=C(O)/C(=C\CC(C)O)n1nc2ccccc2n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 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
SCHEMBL20018392 0.81 KDM4E (0.33) TSHRLMNAKDM4EHPGD
SCHEMBL20144332 0.77 KDM4E (0.38) TSHRLMNAKDM4EHPGD
SCHEMBL29314099 0.71 KDM4E (0.32) KDM4EHPGD
SCHEMBL24248039 0.67 KDM4E (0.34) KDM4EHPGD
SCHEMBL20433970 0.66 HPGD (0.36) TSHRLMNAKDM4EHPGD
SCHEMBL19733536 0.66 KDM4E (0.43) TSHRLMNAKDM4EHPGD
SCHEMBL20626021 0.65 KDM4E (0.39) LMNAKDM4EHPGD
SCHEMBL23047587 0.64 KDM4E (0.38) TSHRLMNAKDM4EHPGD
SCHEMBL24440935 0.64 KDM4E (0.34) KDM4EHPGD
SCHEMBL14516233 0.64 KDM4E (0.39) TSHRLMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020118933-A1 NOVEL POLYCYCLIC COMPOUND 优缔新材料科技(苏州)有限公司 2020-06-18 WO disclosed