SCHEMBL6810401

SCHEMBL6810401

CCOC(CNC(=O)c1ccccc1)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 3/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.49
EPHX1 P07099 1/20 0.48
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ITGAV P06756 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL7603053 0.92 MEN1 (0.56) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17426920 0.85 MAPK1 (0.57) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17981317 0.85 MAPK1 (0.61) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL16092693 0.84 MAPK1 (0.56) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17426919 0.84 MAPK1 (0.56) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL6513070 0.84 MAPK1 (0.56) ATMMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL3601229 0.83 KMT2A (0.68) SMN1; SMN2NPC1RAB9AGAAKMT2A
SCHEMBL25144640 0.82 SMN1; SMN2 (0.47) ATMSMN1; SMN2NPC1RAB9AGAA
SCHEMBL18942306 0.81 SMN1; SMN2 (0.53) ATMSMN1; SMN2NPC1RAB9AGAA
SCHEMBL18942220 0.81 SMN1; SMN2 (0.53) ATMSMN1; SMN2NPC1RAB9AGAA

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-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
EP-1104760-B1 Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-03-12 EP disclosed