SCHEMBL1384705

SCHEMBL1384705

COC[C@H]1C(=O)N(Cc2ccc3c(N)ncnc3c2)CCN1C(=O)COc1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.41
TNIK Q9UKE5 2/20 0.33
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
KDR P35968 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31

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
SCHEMBL1652671 0.92 F10 (0.40) F10TNIKKDR
SCHEMBL1652834 0.92 F10 (0.44) F10KLKB1
SCHEMBL4397187 0.92 F10 (0.44) F10KLKB1
SCHEMBL4391168 0.92 F10 (0.40) F10TNIKKDR
SCHEMBL1384912 0.92 F10 (0.41) F10LMNA
SCHEMBL27591622 0.89 F10 (0.43) F10
SCHEMBL4387720 0.88 F10 (0.46) F10LMNA
SCHEMBL4388026 0.88 CCR1 (0.41) F10
SCHEMBL4388028 0.88 CCR1 (0.41) F10
SCHEMBL4387723 0.88 F10 (0.46) F10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed