SCHEMBL13656141

SCHEMBL13656141

CCC(C)C(=O)Nc1ccc(O)c2ncccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.59
KDM4E B2RXH2 6/20 0.53
MMP2 P08253 3/20 0.50
PDE4D Q08499 1/20 0.50
COMT P21964 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM6B O15054 1/20 0.46
KDM6A O15550 1/20 0.46
TET3 O43151 1/20 0.46
KDM4A O75164 1/20 0.46

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
SCHEMBL13659999 0.81 IDO1 (0.49) IDO1KDM4EMMP2PDE4DCOMT
SCHEMBL1104210 0.81 IDO1 (0.68) IDO1KDM4EL3MBTL1KMT2AHSP90AA1
SCHEMBL7032474 0.79 IDO1 (0.61) IDO1KDM4EMMP2PDE4DL3MBTL1
SCHEMBL13660081 0.78 IDO1 (0.51) IDO1KDM4EMMP2PDE4DCOMT
SCHEMBL7924722 0.76 KDM4E (0.57) IDO1KDM4EMMP2PDE4DL3MBTL1
SCHEMBL19360781 0.75 IDO1 (0.56) IDO1KDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL12599076 0.75 IDO1 (1.00) IDO1KDM4EMMP2L3MBTL1NPC1
SCHEMBL12599074 0.75 IDO1 (1.00) IDO1KDM4EMMP2COMTL3MBTL1
SCHEMBL16525559 0.73 PDE4D (0.66) IDO1KDM4EPDE4DCOMTL3MBTL1
SCHEMBL1133560 0.73 KDM4E (0.54) IDO1KDM4EMMP2PDE4DCOMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed