SCHEMBL2730591

SCHEMBL2730591

CC1(C)CC(c2ccccc2C(N)=O)Nc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.43
F10 P00742 7/20 0.43
F11 P03951 7/20 0.43
IKBKB O14920 2/20 0.39
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PARP1 P09874 2/20 0.33
CYP11B2 P19099 1/20 0.33
KDM1A O60341 1/20 0.32
FASN P49327 1/20 0.32
CHUK O15111 1/20 0.32
PGR P06401 1/20 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
SCHEMBL2729420 0.84 PRKAB2 (0.41) F7F10F11IKBKB
SCHEMBL2135630 0.83 F7 (0.37) F7F10F11CYP11B2KDM1A
SCHEMBL2134584 0.81 F7 (0.37) F7F10F11CYP11B2KDM1A
SCHEMBL2731367 0.81 IKBKB (0.39) F7F10F11IKBKBPARP1
SCHEMBL2729946 0.80 F7 (0.50) F7F10F11RARARARB
SCHEMBL2133030 0.80 F10 (0.34) F7F10F11IKBKB
Bicarbonate SCHEMBL16239727 0.79 F10 (0.37) F7F10F11RARARARB
SCHEMBL2136527 0.79 CUL4A (0.37) F7F10F11CYP11B2PGR
SCHEMBL2136437 0.78 RARB (0.37) F7F10F11RARARARB
SCHEMBL2135772 0.78 F10 (0.37) F7F10F11RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US claimed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP claimed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO disclosed