SCHEMBL8001966

SCHEMBL8001966

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)NCCc2ccc(O)c(O)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CSF1R P07333 1/20 0.35
FLT3 P36888 1/20 0.35
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
FGFR1 P11362 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.33
PTGS2 P35354 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK14 Q16539 2/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAP3K7 O43318 1/20 0.32
RYR2 Q92736 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1496919 0.92 SIGMAR1 (0.41) CSF1RFLT3ABL1SRCFGFR1
SCHEMBL9915261 0.90 ALK (0.37) CSF1RFLT3ABL1ALDH1A1
SCHEMBL8000939 0.88 KCNH2 (0.36) CSF1RFLT3PTGS2JAK3MAPK14
SCHEMBL12831883 0.88 RAF1 (0.37) PTGS2JAK3HDAC1KDM4EALDH1A1
SCHEMBL1496941 0.88 SIGMAR1 (0.43) FGFR1SUCNR1SIGMAR1NAMPT
SCHEMBL1496917 0.86 SIGMAR1 (0.40) ACHEBACE1SUCNR1SIGMAR1HDAC1
SCHEMBL3224387 0.86 SIGMAR1 (0.42) CSF1RFLT3ABL1SRCFGFR1
SCHEMBL1496887 0.86 HDAC1 (0.40) ACHEBACE1CSF1RFLT3ABL1
SCHEMBL1496879 0.85 CSF1R (0.36) CSF1RFLT3ABL1SRCMAPK14
SCHEMBL8001252 0.85 CSF1R (0.38) CSF1RFLT3ABL1SRCMAPK14

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-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 WO disclosed