SCHEMBL14743294

SCHEMBL14743294

COC(=O)c1cc(NC(=O)Cc2ccccc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL14744244 0.90 MAPK8 (0.49) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL14744260 0.89 SMN1; SMN2 (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14743310 0.88 MEN1 (0.52) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL14743578 0.87 RORC (0.44) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL14744254 0.87 POLB (0.49) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL14743078 0.86 HTT (0.50) POLBNPC1MEN1KMT2AMAPK8
SCHEMBL14743721 0.84 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL14743545 0.84 CHUK (0.46) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL14742913 0.83 RAB9A (0.49) RAB9AMEN1KMT2AALDH1A1HDAC1
SCHEMBL14743714 0.81 MAPT (0.56) POLBRAB9ANPC1MEN1KMT2A

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed