SCHEMBL6350141

SCHEMBL6350141

CC(=O)Nc1nc(-c2ccc(SCCC(=O)O)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.60
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
MAPK1 P28482 3/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AOC3 Q16853 2/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 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
SCHEMBL3942963 0.81 AOC3 (0.67) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL4863807 0.81 ABL1 (0.60) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL6387703 0.81 ABL1 (0.60) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL4875896 0.81 ABL1 (0.70) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL2020280 0.78 ABL1 (0.73) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL6350139 0.77 ABL1 (0.61) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL28200307 0.76 ABL1 (0.76) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL2093712 0.76 ABL1 (0.70) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL28759631 0.76 ABL1 (0.70) ABL1RAB9ANPC1KMT2AMEN1
SCHEMBL6387708 0.75 ABL1 (0.58) ABL1RAB9ANPC1KMT2AMEN1

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-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed