SCHEMBL6562098

SCHEMBL6562098

NC(=S)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
RAB9A P51151 1/20 0.55
AKR1C3 P42330 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.48
HTR2A P28223 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 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
SCHEMBL1013 0.84 IDO1 (0.62) IDO1RAB9AAKR1C3LOXL2TSHR
SCHEMBL28502948 0.84 IDO1 (0.58) IDO1RAB9AAKR1C3LOXL2TSHR
SCHEMBL8601259 0.83 IDO1 (0.56) IDO1RAB9AAKR1C3SMN1; SMN2TSHR
SCHEMBL7108760 0.82 IDO1 (0.56) IDO1RAB9AAKR1C3LOXL2NPC1
Hydrochloric Acid SCHEMBL5220657 0.81 IDO1 (0.57) IDO1RAB9AAKR1C3LOXL2NPC1
SCHEMBL37664 0.80 HTR2A (0.62) IDO1RAB9AAKR1C3TSHRHTT
SCHEMBL20497357 0.80 IDO1 (0.57) IDO1RAB9AAKR1C3LOXL2TSHR
SCHEMBL9259054 0.79 DPP8 (0.49) IDO1RAB9AAKR1C3NPC1
SCHEMBL11001927 0.79 IDO1 (0.56) IDO1RAB9AAKR1C3LOXL2HTT
Carbonotrithioic Acid SCHEMBL28080577 0.79 AKR1C3 (0.54) IDO1RAB9AAKR1C3NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397480-A1 WATER SOLUBLE PACKAGE AND LIQUID CONTENTS THEREOF UNILEVER PLC (GB) 2004-03-17 EP disclosed
WO-2002102955-A1 WATER SOLUBLE PACKAGE AND LIQUID CONTENTS THEREOF UNILEVER PLC (GB) 2002-12-27 WO disclosed
US-20020198125-A1 Water soluble package and liquid contents thereof UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-12-26 US disclosed
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 EP disclosed