SCHEMBL5330467

SCHEMBL5330467

CCOc1ccccc1-c1ccc(CCC(=O)Nc2ccsc2C(=O)OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
HTT P42858 2/20 0.59
MAPT P10636 1/20 0.59
MAPK8 P45983 5/20 0.53
MAPK10 P53779 5/20 0.53
MAPK9 P45984 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.49
CASP3 P42574 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 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
SCHEMBL5302041 0.91 DHODH (0.52) KMT2ALMNAL3MBTL1HTTMAPT
SCHEMBL5303546 0.84 MAPK8 (0.66) KMT2ALMNAL3MBTL1HTTMAPK8
SCHEMBL5303540 0.83 SMN1; SMN2 (0.54) KMT2ALMNAL3MBTL1HTTMAPK8
SCHEMBL5309078 0.83 LTB4R (0.54) KMT2ALMNAMAPK8MAPK10MAPK9
SCHEMBL5306138 0.82 KDM4E (0.49) L3MBTL1MAPK8MAPK10MAPK9ALDH1A1
SCHEMBL5292231 0.82 LMNA (0.57) KMT2ALMNAL3MBTL1HTTMAPK8
SCHEMBL5309261 0.80 HCAR2 (0.60) KMT2ALMNAL3MBTL1HTTMAPK8
SCHEMBL5301746 0.78 KMT2A (0.77) KMT2ALMNAL3MBTL1HTTMAPK8
SCHEMBL5292551 0.77 POLB (0.61) KMT2ALMNAL3MBTL1HTTMAPT
SCHEMBL5329176 0.77 DHODH (0.53) L3MBTL1ALDH1A1TDP1

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