SCHEMBL4080273

SCHEMBL4080273

O=[N+]([O-])c1ccccc1OP(O)(=S)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
ESR2 Q92731 1/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL4080269 1.00 ALDH1A1 (0.47) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL18422371 0.83 CES2 (0.54) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL18422374 0.83 CES2 (0.54) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL4300852 0.82 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL4300858 0.82 ALDH1A1 (0.55) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL27990582 0.81 ALDH1A1 (0.50) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL28912185 0.80 ALDH1A1 (0.51) ALDH1A1TDP1NPC1RAB9ARECQL
Methane SCHEMBL11686999 0.78 CES2 (0.60) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL2474283 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL36925 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474678-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS Novus International Inc. (US) 2019-05-01 EP disclosed
EP-3374428-A1 SULFUR-CONTAINING COMPOUNDS AS SOLVENTS Novus International Inc. (US) 2018-09-19 EP disclosed
WO-2018151884-A1 SEED FLOW LUBRICANT COMPOSITIONS AND USES THEREOF 3 Star Ag LLC (US) 2018-08-23 WO disclosed
WO-2017223172-A1 HYDROXY METHIONINE ANALOG FORMULATIONS SUITABLE FOR SPECIALTY CHEMICAL APPLICATIONS NOVUS INTERNATIONAL INC. (US) 2017-12-28 WO disclosed
WO-2017083518-A1 SULFUR-CONTAINING COMPOUNDS AS SOLVENTS NOVUS INTERNATIONAL INC. (US) 2017-05-18 WO disclosed
WO-2009135049-A1 METHODS AND COMPOSITIONS OF PLANT MICRONUTRIENTS NOVUS INTERNATIONAL INC. (US) 2009-11-05 WO disclosed
EP-2106257-A2 COMPOSITIONS FOR PROVIDING COLOR TO ANIMATE OBJECTS AND RELATED METHODS PPG Industries Ohio, Inc. (US) 2009-10-07 EP disclosed
WO-2008091916-A2 COMPOSITIONS FOR PROVIDING COLOR TO ANIMATE OBJECTS AND RELATED METHODS PPG INDUSTRIES OHIO, INC. (US) 2008-07-31 WO disclosed