SCHEMBL7488180

SCHEMBL7488180

CC(c1cccc(C(=O)c2ccccc2)c1)c1nc(N)ns1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCL8 P10145 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL7488787 0.80 MAPT (0.51) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL7539297 0.79 KMT2A (0.65) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL27529227 0.77 SMN1; SMN2 (0.44) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL19788333 0.76 PTGS1 (0.72) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL9555834 0.75 PTGS1 (0.51) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL7491732 0.72 MAPT (0.51) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL7493970 0.72 MAPT (0.51) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL13653043 0.72 MAPT (0.70) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL14921206 0.72 MAPT (0.70) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7496076 0.72 MAPT (0.50) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1

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
EP-1201661-A1 HETEROAROMATIC RING COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-02 EP disclosed