SCHEMBL3986333

SCHEMBL3986333

O=C(Nc1cccc2c1C(=O)N(Cc1ccc(N3CCOCC3=O)cc1)C2)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.58
ABCB11 O95342 1/20 0.51
F2 P00734 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
PTGS2 P35354 1/20 0.45
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2J2 P51589 1/20 0.43
CYP2C8 P10632 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8230535 0.93 F10 (0.52) F10ABCB11F2ST14CYP3A4
SCHEMBL3985616 0.90 F10 (0.61) F10ABCB11F2ST14PTGS2
SCHEMBL8224810 0.88 F10 (0.43) F10ABCB11F2ST14
SCHEMBL3981254 0.87 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL3989045 0.87 F10 (0.47) F10F2
SCHEMBL3617096 0.84 F10 (0.41) F10ABCB11F2ST14
SCHEMBL3382279 0.83 F10 (0.49) F10
SCHEMBL8230000 0.82 F10 (0.47) F10F2
SCHEMBL3987546 0.82 F10 (0.42) F10F2
SCHEMBL8230473 0.81 F10 (0.47) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137790-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
WO-2007137790-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