SCHEMBL11209116

SCHEMBL11209116

O=[N+]([O-])c1ccccc1OC=S

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
TDP1 Q9NUW8 2/20 0.60
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL95865 0.82 ALDH1A1 (0.62) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL13665394 0.80 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL535558 0.80 ALDH1A1 (0.66) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL3391996 0.80 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL39472 0.79 HPGD (0.78) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL8699631 0.77 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL7875585 0.77 ALDH1A1 (0.56) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL11452427 0.77 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL26509809 0.77 ALDH1A1 (0.67) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL28056476 0.77 L3MBTL1 (0.81) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022387-B1 PROCESS FOR THE PREPARATION OF BENZENE DERIVATIVES BY THE REACTION OF AN ACTIVATED HALOBENZENE WITH AN ORGANIC COMPOUND CONTAINING AN OXYGEN OR SULPHUR ANION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-01-05 EP disclosed
US-4287125-A Preparation of benzenoid ethers and thioethers RHONE-POULENC INDUSTRIES (FR) 1981-09-01 US disclosed
EP-0022387-A1 Process for the preparation of benzene derivatives by the reaction of an activated halobenzene with an organic compound containing an oxygen or sulphur anion RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-01-14 EP disclosed