SCHEMBL4435867

SCHEMBL4435867

CCOC(=O)c1cc(C)[nH]n1.CCOC(=O)c1n[nH]c(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
PDE4D Q08499 1/20 0.44
DAO P14920 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
ALPL P05186 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL3078972 0.87 PDE4D (0.56) KMT2APDE4DHCAR2KDM4EL3MBTL1
SCHEMBL1665229 0.85 DAO (0.58) KMT2APDE4DDAOHCAR2NPSR1
SCHEMBL17593217 0.76 KMT2A (0.52) KMT2APDE4DKDM4ENPSR1L3MBTL1
SCHEMBL20525148 0.74 KMT2A (0.50) KMT2APDE4DHCAR2NPSR1L3MBTL1
SCHEMBL1233899 0.73 HCAR2 (0.64) KMT2APDE4DHCAR2NPSR1L3MBTL1
SCHEMBL19253412 0.73 MAPT (0.55) KMT2APDE4DKDM4EMAPTPOLB
SCHEMBL25466120 0.73 HCAR2 (0.50) KMT2APDE4DDAOHCAR2NPSR1
SCHEMBL20298373 0.73 MAPT (0.50) KMT2APDE4DKDM4ENPSR1L3MBTL1
SCHEMBL7705757 0.72 HCAR2 (0.59) KMT2APDE4DHCAR2NPSR1L3MBTL1
SCHEMBL1233339 0.71 KMT2A (0.48) KMT2APDE4DHCAR2KDM4ENPSR1

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
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed