SCHEMBL8230004

SCHEMBL8230004

C=C(Nc1cccc2c1C(=O)N(c1ccc(N3CCOC3=N)cc1)C2)c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.38
GRM1 Q13255 1/20 0.38
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PARP1 P09874 3/20 0.33
ABCB11 O95342 1/20 0.33
F2 P00734 1/20 0.33
ST14 Q9Y5Y6 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
SCHEMBL13550371 0.90 F10 (0.45) F10GRM1POLBMAPTABCB11
SCHEMBL8230159 0.87 F10 (0.51) F10ABCB11F2ST14
SCHEMBL3617551 0.86 F10 (0.42) F10GRM1POLBMAPTABCB11
SCHEMBL13070056 0.86 F10 (0.39) F10GRM1ABCB11F2ST14
SCHEMBL8229717 0.85 AHR (0.40) F10GRM1ABCB11F2ST14
SCHEMBL8224810 0.80 F10 (0.43) F10ABCB11F2ST14
SCHEMBL8230285 0.80 F10 (0.41) F10GRM1POLBMAPTPARP1
SCHEMBL13069758 0.78 PARP1 (0.39) F10GRM1POLBMAPTPARP1
SCHEMBL3617096 0.77 F10 (0.41) F10MAPTABCB11F2ST14
SCHEMBL3985616 0.77 F10 (0.61) F10ABCB11F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007137800-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed