SCHEMBL6204049

SCHEMBL6204049

COCOC[CH]c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.41
NQO2 P16083 1/20 0.38
TRPA1 O75762 1/20 0.35
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.33
PTGS1 P23219 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL27681328 0.84 NFE2L2 (0.47) NFE2L2NQO2TRPA1MAPTMEN1
SCHEMBL2153833 0.72 NFE2L2 (0.44) NFE2L2NQO2TRPA1MAPTMEN1
SCHEMBL6205425 0.72 NFE2L2 (0.44) NFE2L2NQO2TRPA1MAPTMEN1
SCHEMBL654529 0.69 NFE2L2 (0.48) NFE2L2NQO2TRPA1MAPTMEN1
SCHEMBL6204838 0.68 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1POLB
SCHEMBL6204213 0.68 RELA (0.45) NFE2L2MAPTMEN1CYP1A2CYP2C9
SCHEMBL6205403 0.68 CHRM5 (0.50) NFE2L2NQO2CYP1A2
SCHEMBL31246192 0.67 TAAR1 (0.44) MAPTMEN1KMT2AL3MBTL1PTGS1
SCHEMBL1386307 0.65 NFE2L2 (0.44) NFE2L2ALDH1A1L3MBTL1APPPTGS1
SCHEMBL653095 0.64 NFE2L2 (0.43) NFE2L2TRPA1MAPTMEN1LMNA

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed