SCHEMBL4373632

SCHEMBL4373632

O=C(OO)c1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.73
NOD2 Q9HC29 1/20 0.62
NOD1 Q9Y239 1/20 0.62
SRC P12931 1/20 0.61
PLA2G10 O15496 1/20 0.59
KMT2A Q03164 2/20 0.56
F10 P00742 4/20 0.55
F2 P00734 1/20 0.54
GPR35 Q9HC97 1/20 0.52
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL7884326 0.87 KMT2A (0.72) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL1573798 0.85 PLA2G10 (0.78) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL4798323 0.85 NOD2 (0.85) CCR2NOD2NOD1SRCKMT2A
SCHEMBL5378162 0.84 CCR2 (1.00) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL5624852 0.82 CCR2 (0.77) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL7008246 0.81 CCR2 (0.81) CCR2NOD2NOD1PLA2G10GPR35
SCHEMBL6706704 0.80 NOD2 (0.82) CCR2NOD2NOD1SRCKMT2A
SCHEMBL27926662 0.79 CCR2 (0.73) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL3669230 0.78 CCR2 (0.56) CCR2NOD2NOD1SRCPLA2G10
SCHEMBL7881468 0.77 KMT2A (0.69) CCR2NOD2NOD1SRCKMT2A

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-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed