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SCHEMBL4595017

SCHEMBL4595017

CC1NC(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21.FC(F)(F)c1ccc(-c2ccc3c(c2)CNC(=S)N3)cc1.O=C1Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2CO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.41
▸ CYP11B2 P19099 3/20 0.41
▸ KIF11 P52732 1/20 0.40
▸ TDP2 O95551 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ CTSC P53634 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
SCHEMBL4623218 0.91 KIF11 (0.47) CYP11B1CYP11B2KIF11TDP2SYK
SCHEMBL4898275 0.78 KIF11 (0.48) KIF11TDP2
SCHEMBL4596312 0.77 KIF11 (0.63) CYP11B1CYP11B2KIF11TDP2SYK
SCHEMBL4596526 0.76 KIF11 (0.57) CYP11B1CYP11B2KIF11TDP2
SCHEMBL4596437 0.71 KIF11 (0.65) CYP11B1CYP11B2KIF11TDP2
SCHEMBL4596871 0.68 KIF11 (0.59) CYP11B1CYP11B2KIF11TDP2
SCHEMBL4596036 0.65 KIF11 (0.45) KIF11TDP2
SCHEMBL19187758 0.64 CYP11B1 (0.60) CYP11B1CYP11B2KIF11SYKCTSC
SCHEMBL4596868 0.63 KIF11 (0.65) CYP11B1CYP11B2KIF11TDP2
SCHEMBL4889182 0.63 KIF11 (0.70) CYP11B1CYP11B2KIF11TDP2

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
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 — — EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 — — WO claimed