SCHEMBL6553235

SCHEMBL6553235

CC(=O)Oc1ccc(OC(=S)N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
RAB9A P51151 1/20 0.52
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
ELANE P08246 1/20 0.48
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.42

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
SCHEMBL9711102 0.85 MAPT (0.53) LMNARAB9AMAPTPOLBELANE
SCHEMBL7754914 0.80 NPSR1 (0.71) LMNAMAPTHSD17B10GAAALDH1A1
SCHEMBL11167581 0.80 RAB9A (0.49) LMNARAB9AMAPTHSD17B10GAA
SCHEMBL269329 0.80 LMNA (0.80) LMNARAB9AMAPTPOLBPKM
SCHEMBL11305905 0.78 CA1 (0.56) LMNARAB9AMAPTPOLBPKM
SCHEMBL14760365 0.78 LMNA (0.76) LMNARAB9AMAPTPOLBPKM
Lithium SCHEMBL30522746 0.78 LMNA (0.76) LMNARAB9AMAPTPOLBPKM
SCHEMBL5155573 0.78 RAB9A (0.43) LMNARAB9AMAPTPKMGAA
SCHEMBL9320116 0.77 ALDH1A1 (0.48) LMNARAB9AMAPTALDH1A1KMT2A
SCHEMBL7781426 0.77 MAPT (0.46) LMNARAB9AMAPTPKMALDH1A1

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed