SCHEMBL8505274

SCHEMBL8505274

O=[C]NCC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
GSK3B P49841 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 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
SCHEMBL711360 0.78 RAB9A (0.75) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15974627 0.78 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL15974201 0.76 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9329501 0.76 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8505276 0.75 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2216212 0.74 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4341460 0.73 ERCC5 (0.72) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23855456 0.72
SCHEMBL5762863 0.72 GSK3B (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3242851 0.72 HDAC1 (0.64) ALDH1A1NPC1RAB9AMEN1KMT2A

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-5939398-A ANTIATHEROSCLEROSIS AGENTS PFIZER INC. (US) 1999-08-17 US disclosed