SCHEMBL9265658

SCHEMBL9265658

CN(C)C(=S)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP2C19 P33261 3/20 0.35
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL9351882 0.83 MEN1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL9269153 0.82 L3MBTL1 (0.49) L3MBTL1CYP2C19MEN1KMT2ANPSR1
SCHEMBL24372709 0.81 L3MBTL1 (0.37) L3MBTL1CYP2C19MEN1RAB9AKMT2A
SCHEMBL4734850 0.81 L3MBTL1 (0.50) L3MBTL1MEN1RAB9AKMT2ANPSR1
SCHEMBL2653825 0.76 L3MBTL1 (0.44) L3MBTL1MEN1RAB9AKMT2ANPSR1
SCHEMBL386837 0.74 ALDH1A1 (0.48) CYP2C19MEN1RAB9AKMT2ACYP1A2
SCHEMBL14030717 0.73 RAB9A (0.55) CYP2C19MEN1RAB9AKMT2ANPSR1
SCHEMBL8794474 0.72 RAB9A (0.36) L3MBTL1CYP2C19RAB9ANPSR1CYP1A2
SCHEMBL25773118 0.72 L3MBTL1 (0.33) L3MBTL1CYP2C19RAB9ANPSR1CYP1A2
SCHEMBL14488840 0.69 CYP3A4 (0.47) L3MBTL1GABRA1GABRB2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476944-A Inhibitors or stimulators of superoxide generation; may also inhibit cyclooxygenase and/or 5-lipoxygenase; useful in therapeutic or prophylactic treatment of disease conditions G. D. SEARLE & CO. (US) 1995-12-19 US disclosed
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP disclosed