SCHEMBL3679679

SCHEMBL3679679

CC(=O)C(C)(C)C[AsH]Cc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 6/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
BLM P54132 1/20 0.38
HPGD P15428 1/20 0.37
CTSC P53634 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL6870554 0.78 RIPK1 (0.50) RIPK1L3MBTL1CYP2C19MEN1KMT2A
SCHEMBL3000409 0.72 L3MBTL1 (0.52) RIPK1L3MBTL1MEN1KMT2APOLB
SCHEMBL28013833 0.68 POLB (0.51) RIPK1L3MBTL1CYP2C19POLBALDH1A1
SCHEMBL4485884 0.68 RIPK1 (0.50) RIPK1L3MBTL1CYP2C19POLBALDH1A1
Acetic Acid SCHEMBL11332370 0.66 CYP2C19 (0.57) L3MBTL1CYP2C19MEN1KMT2APOLB
SCHEMBL681510 0.66
SCHEMBL6870551 0.66 HPGD (0.51) RIPK1CYP2C19MEN1KMT2APOLB
SCHEMBL19890825 0.66 RIPK1 (0.59) RIPK1CYP2C19MEN1KMT2APOLB
SCHEMBL4473902 0.66 RIPK1 (0.51) RIPK1L3MBTL1CYP2C19POLBRAB9A
SCHEMBL10916089 0.66 NPC1 (0.49) L3MBTL1CYP2C19MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178835-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS Torrent Pharmaceuticals Ltd (IN) 2010-04-28 EP disclosed
WO-2009004650-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS TORRENT PHARMACEUTICALS LTD. (IN) 2009-01-08 WO disclosed