SCHEMBL14458263

SCHEMBL14458263

CCCCCCCCC1CCN(S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
PKM P14618 5/20 0.57
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL19002724 0.84 MEN1 (0.68) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL14314684 0.81 PKM (0.63) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL14314685 0.79 PKM (0.65) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL18997840 0.77 PKM (0.66) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL25944225 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL22604257 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL3919941 0.72 PKM (0.68) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL4380434 0.72 GAA (0.46) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL4390904 0.72 GAA (0.46) MEN1KMT2APOLBTSHRMAPK1
SCHEMBL4385434 0.72 GAA (0.46) MEN1KMT2APOLBTSHRMAPK1

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
US-7241745-B2 Pyridyl alkene and pyridyl alkine acid amides as cytostatics and immunosupressives ASTELLAS PHARMA GMBH (DE) 2007-07-10 US disclosed