SCHEMBL22855422

SCHEMBL22855422

Cc1cc(C)c(-c2cccc3c2nc(NC2CCCCC2)n3C(C)C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
GFER P55789 1/20 0.36
CRHR1 P34998 2/20 0.36
KCNH2 Q12809 1/20 0.36
ADORA3 P0DMS8 5/20 0.36
ADORA2A P29274 4/20 0.36
EGFR P00533 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
SCHEMBL22855416 0.84 KMT2A (0.38) KDM4ELMNAKMT2AGAAMEN1
SCHEMBL29873429 0.84 KMT2A (0.38) KDM4ELMNAKMT2AGAAMEN1
SCHEMBL22855672 0.81 CRHR1 (0.46) LMNAKMT2AGAAMEN1MAPT
SCHEMBL22855673 0.76 KMT2A (0.39) KDM4ELMNAKMT2AGAAMEN1
SCHEMBL29501666 0.75 CRHR1 (0.38) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL22833928 0.75 CRHR1 (0.38) LMNAKMT2AMEN1MAPTMAPK1
SCHEMBL22855425 0.75 MEN1 (0.45) KDM4ELMNASMN1; SMN2KMT2AGAA
SCHEMBL22855454 0.74 IDH1 (0.33) CRHR1
SCHEMBL22855654 0.74 CRHR1 (0.35) KMT2AMEN1ALDH1A1CRHR1
SCHEMBL22855428 0.74 CRHR1 (0.41) KDM4ELMNASMN1; SMN2KMT2AMEN1

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-2020263790-A1 OLEFIN POLYMERIZATION CATALYSTS BEARING A THIAZOLE OR IMIDAZOLE DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-30 WO disclosed