SCHEMBL7377409

SCHEMBL7377409

O=C(O)C1CNc2ccc(C(F)(F)F)cc2CS1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
GAA P10253 3/20 0.37
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 2/20 0.34
NOTUM Q6P988 1/20 0.34
MAP2K4 P45985 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
PNMT P11086 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TDP2 O95551 1/20 0.33

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
SCHEMBL7377413 1.00 HDAC8 (0.39) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7377416 1.00 HDAC8 (0.39) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7382705 0.88 HDAC8 (0.38) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7382707 0.88 HDAC8 (0.38) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7382702 0.88 HDAC8 (0.38) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7385459 0.78 HTR2A (0.40) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7385453 0.78 HTR2A (0.40) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7385461 0.78 HTR2A (0.40) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7555698 0.77 HDAC8 (0.46) HDAC8GAAMAPK1MEN1MAPT
SCHEMBL7378403 0.72 ALDH1A1 (0.37) MAPK1MEN1MAPTKMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed