SCHEMBL22550108

SCHEMBL22550108

CCCCCC/C(=N\O)C(=O)c1ccc2c(c1)c1cc(C(=O)/C(CC3CCCCC3)=N/O)ccc1n2CC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
CNR2 P34972 13/20 0.41
RAB9A P51151 1/20 0.40
CNR1 P21554 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.38
RORC P51449 1/20 0.38
GFER P55789 1/20 0.36

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
SCHEMBL28936992 0.87 CNR2 (0.38) KDM4EHPGDHTTCNR2RAB9A
SCHEMBL31099279 0.87 CNR2 (0.38) KDM4EHPGDHTTCNR2RAB9A
SCHEMBL21898018 0.87 CNR2 (0.38) KDM4EHPGDHTTCNR2RAB9A
SCHEMBL22550094 0.84 CNR2 (0.44) CNR2RAB9ACNR1NPC1
SCHEMBL29544623 0.84 CNR2 (0.40) CNR2RAB9ACNR1NPC1RORC
SCHEMBL21296048 0.84 CNR2 (0.40) CNR2RAB9ACNR1NPC1RORC
SCHEMBL23352337 0.82 KDM4E (0.41) KDM4EHPGDHTTCNR2RAB9A
SCHEMBL29395430 0.80 NPC1 (0.40) CNR2RAB9ACNR1NPC1RORC
SCHEMBL25213426 0.80 NPC1 (0.40) CNR2RAB9ACNR1NPC1RORC
SCHEMBL23801779 0.80 CNR2 (0.47) KDM4EHPGDHTTCNR2LMNA

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-2020209205-A1 CARBAMOYLOXIME COMPOUND, AND POLYMERIZATION INITIATOR AND POLYMERIZABLE COMPOSITION CONTAINING SAID COMPOUND 株式会社ADEKA 2020-10-15 WO disclosed