SCHEMBL9373389

SCHEMBL9373389

CSc1ccc(C(C)=O)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
LIG1 P18858 1/20 0.70
PLAU P00749 1/20 0.59
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
GSK3B P49841 1/20 0.47
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK1 P49759 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
SCHEMBL2723219 0.83 PKM (1.00) PKMLIG1PLAUKDM4ERAB9A
SCHEMBL3064091 0.81 PKM (0.68) PKMLIG1PLAULMNAGSK3B
SCHEMBL23553995 0.78 PLAU (0.59) PKMLIG1PLAUALDH1A1NR1D1
SCHEMBL2872059 0.78 GSK3B (0.67) PKMLMNATSHRGSK3BMAPT
SCHEMBL25256894 0.78 PKM (0.69) PKMLIG1PLAULMNATSHR
SCHEMBL16879111 0.76 PKM (0.61) PKMLIG1PLAULMNAGSK3B
SCHEMBL7826596 0.75 USP47 (0.52) PKMLIG1LMNATSHRGSK3B
SCHEMBL5982145 0.74 PLAU (1.00) PKMLIG1PLAU
SCHEMBL9141963 0.74 GSK3B (0.51) PKMLIG1PLAULMNATSHR
SCHEMBL13753593 0.74 PKM (0.58) PKMLIG1PLAULMNAL3MBTL1

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-20210088814-A1 OPTICAL FILTER WITH LIGHT SOURCE SWITCH MATERIALS, INC. (CA) 2021-03-25 US disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed