SCHEMBL5301602

SCHEMBL5301602

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK8 P45983 2/20 0.48
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
ALDH1A1 P00352 4/20 0.44
HCAR2 Q8TDS4 2/20 0.43
HDAC1 Q13547 3/20 0.42
MMP2 P08253 1/20 0.42
MMP10 P09238 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR4A2 P43354 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42

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
SCHEMBL5295939 0.88 HCAR2 (0.51) KDM4EALDH1A1HCAR2HDAC1MMP2
SCHEMBL5061223 0.85 KDM4E (0.62) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5303071 0.84 KDM4E (0.50) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5300760 0.82 ALDH1A1 (0.56) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5296892 0.81 HCAR2 (0.67) KDM4ERAB9AMAPK8MAPK10MAPK9
SCHEMBL5302379 0.81 KDM4E (0.54) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5306189 0.80 HCAR2 (0.53) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5302182 0.80 KDM4E (0.49) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL5297607 0.80 HCAR2 (0.62) KDM4ENPC1RAB9AMAPK8MAPK10
SCHEMBL14609699 0.80 HCAR2 (0.64) KDM4ENPC1RAB9AMAPK8MAPK10

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-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed