SCHEMBL5039137

SCHEMBL5039137

CN(C)CCCNC(=O)Oc1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 3/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KMT2A Q03164 2/20 0.37
MALT1 Q9UDY8 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CCR4 P51679 2/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL14190185 0.86 POLB (0.46) POLBKDM4ENPC1ALDH1A1MAPT
SCHEMBL5039110 0.86 CYP3A4 (0.42) POLBKDM4ENPC1ALDH1A1MAPT
SCHEMBL5036077 0.84 CYP3A4 (0.42) POLBKDM4ENPC1ALDH1A1MAPT
SCHEMBL5035235 0.82 CYP3A4 (0.45) NPC1ALDH1A1MAPTHTTRAB9A
SCHEMBL5034905 0.82 CYP3A4 (0.35) POLBMAPTHPGDSMN1; SMN2CYP3A4
SCHEMBL5041330 0.81 CYP3A4 (0.44) POLBKDM4ENPC1ALDH1A1MAPT
SCHEMBL5034908 0.81 CYP3A4 (0.43) MAPTHTTSMN1; SMN2CYP3A4KMT2A
SCHEMBL5034877 0.80 CYP3A4 (0.44) POLBKDM4ENPC1MAPTHTT
SCHEMBL5041488 0.80 CYP3A4 (0.42) HTTSMN1; SMN2CYP3A4KMT2ACYP11B1
SCHEMBL5036060 0.79 CYP3A4 (0.43) KDM4ENPC1MAPTHPGDRAB9A

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
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed