SCHEMBL19670985

SCHEMBL19670985

CCCC(N)c1cc2ccccc2c2nc3cc4c(cc3n12)C(C)(C)C(C)(C)C4(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL19670652 0.90 KDM4E (0.34) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428237 0.78 MAPT (0.36) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15427877 0.77 KDM4E (0.38) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15427878 0.74 KDM4E (0.33) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428219 0.72 KDM4E (0.33) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428148 0.72 ALDH1A1 (0.40) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428205 0.71 KDM4E (0.34) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428187 0.70 TLR7 (0.33) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15428184 0.70 MAPT (0.33) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL15427828 0.70 ALDH1A1 (0.47) KDM4EMAPTMEN1ALDH1A1HPGD

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