SCHEMBL6205403

SCHEMBL6205403

COCOC[CH]c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
RELA Q04206 1/20 0.49
NFE2L2 Q16236 3/20 0.46
CYP19A1 P11511 1/20 0.45
NQO2 P16083 1/20 0.45
CYP1A2 P05177 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 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
SCHEMBL6205455 0.86 KDM4E (0.48) CHRM5RELACYP19A1CYP1A2TDP1
SCHEMBL6204838 0.80 ALDH1A1 (0.47) TDP1
SCHEMBL6204213 0.80 RELA (0.45) CHRM5RELANFE2L2CYP1A2FBP1
SCHEMBL16619043 0.78 CHRM5 (0.60) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL6204379 0.76 CHRM5 (0.53) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL28007509 0.75 CHRM5 (0.56) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL27780191 0.75 CHRM5 (0.56) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL1251512 0.75 CHRM5 (0.56) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL6159256 0.74 CHRM5 (0.55) CHRM5RELANFE2L2CYP19A1NQO2
SCHEMBL27848978 0.74 CHRM5 (0.55) CHRM5RELANFE2L2CYP19A1NQO2

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