SCHEMBL8230535

SCHEMBL8230535

O=C(Nc1cccc2c1C(=O)N(Cc1cccc(N3CCOCC3=O)c1)C2)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
ABCB11 O95342 1/20 0.46
F2 P00734 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 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
SCHEMBL3986333 0.93 F10 (0.58) F10ABCB11F2ST14CYP3A4
SCHEMBL8230473 0.88 F10 (0.47) F10
SCHEMBL3985724 0.88 F10 (0.61) F10ABCB11F2ST14CYP3A4
SCHEMBL8230000 0.88 F10 (0.47) F10F2
SCHEMBL8232086 0.87 F10 (0.46) F10
SCHEMBL3989045 0.86 F10 (0.47) F10F2
SCHEMBL3616876 0.85 F10 (0.44) F10
SCHEMBL3985616 0.84 F10 (0.61) F10ABCB11F2ST14CYP3A4
SCHEMBL8230157 0.83 KDM4E (0.47) F10KCNH2
SCHEMBL8230871 0.83 F10 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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