SCHEMBL8470376

SCHEMBL8470376

COc1ccc2c(c1F)CSCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.40
PTGS2 P35354 4/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 3/20 0.37
ACHE P22303 2/20 0.36
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
DUSP3 P51452 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL23857698 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14053635 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL29840331 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL23335828 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL6119284 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL8470734 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDLMNAGLA
SCHEMBL8473547 0.74 KDM4E (0.34) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL22829411 0.74 ACHE (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL30815971 0.74 ACHE (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14015536 0.67 GRM8 (0.43) KDM4EALDH1A1LMNAKMT2AACHE

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
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed