SCHEMBL6651599

SCHEMBL6651599

CC(O)C(O)c1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HSD11B1 P28845 4/20 0.39
DYRK1A Q13627 1/20 0.38
APLNR P35414 1/20 0.37
MTOR P42345 1/20 0.36
MAPT P10636 1/20 0.36
OGA O60502 1/20 0.35
SOS1 Q07889 1/20 0.35
P4HTM Q9NXG6 1/20 0.33
FGFR3 P22607 1/20 0.33
GRM5 P41594 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4A O75164 1/20 0.33

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
SCHEMBL12089852 0.85 HSD11B1 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL7738796 0.83 ALDH1A1 (0.42) APLNRMAPTNPC1RAB9AKDM4A
SCHEMBL6652918 0.81 P4HTM (0.49) MAPTP4HTM
SCHEMBL6650658 0.80 KMT2A (0.45) APLNRMAPTP4HTMNPC1RAB9A
SCHEMBL23561173 0.79 ALDH1A1 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24958737 0.79 ALDH1A1 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL6650491 0.77 MAPK1 (0.56) DYRK1AMAPTGRM5NPC1RAB9A
SCHEMBL29571426 0.77 MAPK1 (0.56) DYRK1AMAPTGRM5NPC1RAB9A
SCHEMBL6649788 0.77 MAPT (0.41) PIK3CAPI4KAPI4KBMAPTGRM5
SCHEMBL1976172 0.72 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0926137-B1 Picolin acid derivatives useful in the treatment of IL-1 and TNF mediated diseases PFIZER (US) 2004-05-12 EP disclosed
US-6416979-B1 MARASMIELLUS CULTURE PRODUCT; ANTIINFLAMMATORY AGENT, ANTIARTHRITIC AGENTS PFIZER INC. 2002-07-09 US disclosed
US-6194442-B1 ANTIINFLAMMATORY AGENT PFIZER INC 2001-02-27 US disclosed
US-6034107-A RHEUMATIC DISORDERS, ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 2000-03-07 US disclosed
EP-0926137-A1 Picolin acid derivatives useful in the treatment of IL-1 and TNF mediated diseases PFIZER INC. (US) 1999-06-30 EP disclosed