SCHEMBL5376375

SCHEMBL5376375

CC(=O)SCc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
LMNA P02545 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TRPA1 O75762 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
EPHX1 P07099 1/20 0.42
MAOB P27338 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL6517369 0.81 IDO1 (0.59) IDO1LMNATP53KMT2ACYP1A2
SCHEMBL10126371 0.81 IDO1 (0.51) IDO1LMNAKMT2ACYP2C19ALDH1A1
SCHEMBL11957418 0.81 NOS1 (0.46) IDO1KMT2ARAB9AALDH1A1MEN1
SCHEMBL19725955 0.81 IDO1 (0.59) IDO1SMN1; SMN2RAB9AALDH1A1
SCHEMBL978161 0.80 TAAR1 (0.47) LMNAKMT2ARAB9AALDH1A1MAOB
SCHEMBL4264065 0.79 APP (0.41) IDO1
SCHEMBL7185466 0.79 IDO1 (0.57) IDO1LMNAKMT2ACYP1A2CYP2C19
SCHEMBL6517363 0.79 NOS1 (0.40) IDO1LMNAKMT2A
SCHEMBL17297115 0.79 KDM4E (0.47) IDO1SMN1; SMN2
SCHEMBL14611678 0.79 IDO1 (0.57) IDO1LMNAKMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173156-B1 Thioacetate deprotection THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-06 US disclosed
US-7173156-B1 Thioacetate deprotection THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-06 US disclosed
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed