SCHEMBL14744260

SCHEMBL14744260

COC(=O)c1cc(NC(=O)CCc2ccccc2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LTB4R Q15722 1/20 0.46
ROCK2 O75116 1/20 0.45

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
SCHEMBL14744254 0.94 POLB (0.49) SMN1; SMN2HPGDKDM4EALDH1A1ALOX15
SCHEMBL14743294 0.89 POLB (0.55) SMN1; SMN2HPGDALDH1A1MAPK1RAB9A
SCHEMBL14743367 0.89 GAA (0.55) SMN1; SMN2HPGDALDH1A1ALOX15MAPK1
SCHEMBL14743721 0.83 ALDH1A1 (0.54) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL14742969 0.82 MEN1 (0.50) SMN1; SMN2ALDH1A1ALOX15MAPK1RAB9A
SCHEMBL14742913 0.82 RAB9A (0.49) HPGDKDM4EALDH1A1MAPK1RAB9A
SCHEMBL14743714 0.80 MAPT (0.56) SMN1; SMN2HPGDKDM4EALDH1A1RAB9A
SCHEMBL14743078 0.80 HTT (0.50) HPGDKDM4EALDH1A1NPC1MEN1
SCHEMBL14744244 0.80 MAPK8 (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL14743578 0.79 RORC (0.44) KDM4EALDH1A1MEN1KMT2A

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