SCHEMBL2660445

SCHEMBL2660445

COCn1c(C(=O)O)cc2cccc(N(C)S(=O)(=O)c3ccco3)c21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.36
FDPS P14324 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
TAS2R14 Q9NYV8 3/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CCR9 P51686 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2668842 0.89 KMT2A (0.39) POLBALDH1A1KDM4EKMT2ANPC1
SCHEMBL2668751 0.80 RAB9A (0.39) CCR2ALDH1A1KMT2ARAB9AHSD17B10
SCHEMBL2660442 0.78 CCR2 (0.35) CCR2FDPSPOLBTAS2R14CCR9
SCHEMBL1653090 0.72 TSHR (0.39) CCR2FDPSALDH1A1KMT2ARAB9A
SCHEMBL1653451 0.69 RAB9A (0.38) ALDH1A1KDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL2661943 0.69 KMT2A (0.39) CCR2POLBALDH1A1KMT2ANPC1
SCHEMBL2977393 0.69 KMT2A (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL2659895 0.69 APEX1 (0.44) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL13312899 0.67 CCR2 (0.37) CCR2POLBALDH1A1KDM4EKMT2A
SCHEMBL2668669 0.65 CDK1 (0.44) ALDH1A1KDM4EKMT2ANPC1RAB9A

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-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed