SCHEMBL11214719

SCHEMBL11214719

Cc1c(O)cn(CC(C)C)c(=O)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
GRM2 Q14416 12/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL11211118 0.81 TYR (0.47) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL11211380 0.79 TYR (0.50) KDM4EMAPTMEN1KMT2AGRM2
SCHEMBL16331703 0.79 GRM2 (0.43) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL621548 0.78 KDM4E (0.39) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL7773778 0.78 KDM4E (0.38) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL11208013 0.77 TYR (0.44) KDM4EMAPTMEN1KMT2AGRM2
SCHEMBL11216542 0.77 TYR (0.44) KDM4EMAPTMEN1KMT2AGRM2
SCHEMBL11131096 0.77 TYR (0.44) KDM4EMAPTMEN1KMT2AGRM2
SCHEMBL8821197 0.76 ALDH1A1 (0.47) KDM4EMAPTMEN1KMT2ATHRB
SCHEMBL11212583 0.75 KDM4E (0.45) KDM4EMAPTMEN1KMT2ATHRB

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
EP-0085823-A1 Dye mixture, process for its preparation and its use in dyeing and printing hydrophobic textile material CIBA-GEIGY AG (CH) 1983-08-17 EP disclosed