SCHEMBL14743545

SCHEMBL14743545

COC(=O)c1cc(NC(=O)Cc2ccccn2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.46
ICOSLG O75144 1/20 0.46
ICOS Q9Y6W8 1/20 0.46
HTT P42858 2/20 0.44
POLB P06746 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL14743443 0.89 CHUK (0.48) CHUKICOSLGICOSHTTPOLB
SCHEMBL14743294 0.84 POLB (0.55) HTTPOLBRAB9ANPC1KMT2A
SCHEMBL14744244 0.83 MAPK8 (0.49) HTTPOLBRAB9ANPC1KMT2A
SCHEMBL14743750 0.82 HTT (0.47) HTTPOLBRAB9ANPC1KMT2A
SCHEMBL14743078 0.81 HTT (0.50) HTTPOLBNPC1KMT2AALDH1A1
SCHEMBL14743578 0.81 RORC (0.44) HTTPOLBKMT2AALDH1A1KDM4E
SCHEMBL14744260 0.78 SMN1; SMN2 (0.55) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL14742913 0.77 RAB9A (0.49) RAB9AKMT2AALDH1A1KDM4EHSD17B10
SCHEMBL14744254 0.76 POLB (0.49) HTTPOLBRAB9ANPC1KMT2A
SCHEMBL14743107 0.76 LMNA (0.49) CHUKICOSLGICOSPOLBRAB9A

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