SCHEMBL5300760

SCHEMBL5300760

COC(=O)c1cscc1NC(=O)CCc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HCAR2 Q8TDS4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
ALPL P05186 1/20 0.49
HDAC1 Q13547 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F2RL1 P55085 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL5301209 0.91 HCAR2 (0.59) ALDH1A1MAPTMAPK1GAAHCAR2
SCHEMBL5061223 0.89 KDM4E (0.62) ALDH1A1KDM4EHCAR2NPC1RAB9A
SCHEMBL5296892 0.89 HCAR2 (0.67) ALDH1A1KDM4EGAAHCAR2RAB9A
SCHEMBL5303071 0.87 KDM4E (0.50) ALDH1A1KDM4EHCAR2HDAC1NPC1
SCHEMBL5300871 0.85 KDM4E (0.48) ALDH1A1MAPTKDM4EHCAR2HDAC1
SCHEMBL5302379 0.84 KDM4E (0.54) ALDH1A1KDM4EGAAHDAC1TSHR
SCHEMBL5307245 0.84 KDM4E (0.52) ALDH1A1KDM4EGAAHCAR2MEN1
SCHEMBL5301602 0.82 KDM4E (0.50) ALDH1A1MAPTMAPK1KDM4EHCAR2
SCHEMBL5297607 0.81 HCAR2 (0.62) ALDH1A1KDM4EHCAR2TSHRNPC1
SCHEMBL14609699 0.81 HCAR2 (0.64) ALDH1A1MAPTMAPK1KDM4EHCAR2

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