SCHEMBL362871

SCHEMBL362871

Cc1cc(CCC=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
KCNQ2 O43526 1/20 0.42
FFAR1 O14842 1/20 0.37
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
NR3C2 P08235 3/20 0.35
GRM5 P41594 1/20 0.35
DYRK1A Q13627 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
WNT3A P56704 3/20 0.32

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
SCHEMBL363433 0.82 UHRF1 (0.46) UHRF1KCNQ2FFAR1GRM5DYRK1A
SCHEMBL4355540 0.82 UHRF1 (0.54) UHRF1KCNQ2FFAR1GSK3AGSK3B
Hydrochloric Acid SCHEMBL30527118 0.81 UHRF1 (0.45) UHRF1KCNQ2FFAR1GSK3AGSK3B
SCHEMBL6561559 0.80 UHRF1 (0.41) UHRF1KCNQ2FFAR1GSK3AGSK3B
SCHEMBL6561557 0.80 UHRF1 (0.41) UHRF1KCNQ2FFAR1GSK3AGSK3B
SCHEMBL14197632 0.80 KCNQ2 (0.38) UHRF1KCNQ2FFAR1GSK3AGSK3B
SCHEMBL4358691 0.78 UHRF1 (0.50) UHRF1KCNQ2FFAR1GSK3AGSK3B
SCHEMBL13825233 0.78 RECQL (0.53) FFAR1GSK3AGSK3BNR3C2GRM5
SCHEMBL13824873 0.78 NR3C2 (0.33) NR3C2
SCHEMBL2170770 0.78 PARP1 (0.38) NR3C2

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
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-5808101-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-09-15 US disclosed
US-5710288-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-01-20 US disclosed