SCHEMBL21661511

SCHEMBL21661511

CN1CCC(F)(CNC=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 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
SCHEMBL20905642 0.83
SCHEMBL10641279 0.78 MAPK1 (0.32) KMT2A
SCHEMBL20718023 0.77 KDM1A (0.44) KDM1A
SCHEMBL15739795 0.77 KDM1A (0.44) KDM1A
SCHEMBL24268261 0.76
SCHEMBL19182919 0.73 KDM1A (0.42) KDM1AKCNH2
SCHEMBL12225222 0.72 KDM1A (0.41) KDM1A
SCHEMBL16110021 0.72 KDM1A (0.36) KDM1A
SCHEMBL13605225 0.71 KDM1A (0.38) KDM1A
SCHEMBL22519389 0.71 KCNH2 (0.40) KDM1AKMT2AKCNH2

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-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed