SCHEMBL1670080

SCHEMBL1670080

COc1ccc(-n2c(Br)c(C#N)c3cnccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.36
G6PD P11413 1/20 0.36
TDP2 O95551 1/20 0.36
USP7 Q93009 1/20 0.36
MAPT P10636 2/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL1075635 0.83 MAPT (0.48) MEN1KMT2AMAPK1KDM4ERXFP1
SCHEMBL1667624 0.83 KDM4E (0.37) MEN1KMT2AKDM4ENPSR1TDP2
SCHEMBL12377649 0.77 HTT (0.39) MAOAMAOBMEN1KMT2AMAPK1
SCHEMBL1668123 0.76 MAPT (0.44) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30176370 0.76 KDM4E (0.40) MEN1KMT2AMAPK1KDM4ECYP3A4
SCHEMBL23886817 0.76 KDM4E (0.40) MEN1KMT2AMAPK1KDM4ECYP3A4
SCHEMBL1667649 0.73 L3MBTL1 (0.49) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL12387042 0.71 MEN1 (0.38) MAOBMEN1KMT2AMAPK1KDM4E
SCHEMBL17570604 0.68 ELANE (0.39) MAOAMAOBHTTCYP19A1ACHE
SCHEMBL5475602 0.68 MEN1 (0.42) MEN1KMT2AMAPK1CYP3A4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed