SCHEMBL19670940

SCHEMBL19670940

CC1(C)CC(C)(C)c2c1c1ccccc1c1nc3cc4c(cc3n21)C1CCC41

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17084921 0.89 CHRNB2 (0.32)
SCHEMBL15428249 0.83 KDM4E (0.36) KDM4ELMNATP53POLBMAPT
SCHEMBL15427818 0.81 KDM4E (0.32) KDM4ELMNATP53POLBMAPT
SCHEMBL15427718 0.76
SCHEMBL15427943 0.70 CCR1 (0.35) KDM4ELMNATP53POLBMAPT
SCHEMBL15427720 0.68
SCHEMBL18309506 0.66 KDM4E (0.37) KDM4ELMNATP53POLBMAPT
SCHEMBL15840891 0.66 PGR (0.39) KDM4ELMNAPOLBMAPTHSD17B10
SCHEMBL19670892 0.65 PRKDC (0.42) KDM4ETP53POLBMAPT
SCHEMBL15427721 0.65 PDE2A (0.34)

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
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed