SCHEMBL6650658

SCHEMBL6650658

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SCN9A Q15858 2/20 0.40
SIRT6 Q8N6T7 2/20 0.39
NNMT P40261 1/20 0.36
APP P05067 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
APLNR P35414 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TSHR P16473 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
MC3R P41968 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
LCK P06239 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6469006 0.86 KMT2A (0.47) KMT2ASIRT6NNMTAPPHRH3
SCHEMBL6652918 0.84 P4HTM (0.49) KMT2ATSHRP4HTMLMNAMAPT
SCHEMBL8953636 0.84 KMT2A (0.49) KMT2ASIRT6NNMTAPPHRH3
SCHEMBL6649788 0.80 MAPT (0.41) TSHRTLR8TLR7NPC1LMNA
SCHEMBL6650491 0.80 MAPK1 (0.56) HRH3LCKNPC1LMNAMAPT
SCHEMBL6651599 0.80 PIK3CD (0.41) APLNRP4HTMNPC1MAPTRAB9A
SCHEMBL29571426 0.80 MAPK1 (0.56) HRH3LCKNPC1LMNAMAPT
SCHEMBL6469092 0.79 KMT2A (0.41) KMT2ASIRT6NNMTAPPHRH3
SCHEMBL2677914 0.78 ALDH1A1 (0.44) KMT2ASIRT6TSHRP4HTMNPC1
SCHEMBL22888217 0.77 KMT2A (0.54) KMT2ASIRT6NNMTAPPHRH3

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