SCHEMBL6533695

SCHEMBL6533695

COc1ccc(C=Cc2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)cc1.COc1ccc(C=Cc2nc(-c3ccc(-c4ccccc4)cc3)c[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
MAPT P10636 2/20 0.62
TRPA1 O75762 1/20 0.51
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A3 P47895 1/20 0.44
ACACA Q13085 1/20 0.43
MAPK1 P28482 1/20 0.43
TUBB4A P04350 1/20 0.43

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
SCHEMBL6533694 1.00 KDM4E (0.62) KDM4EMAPTTRPA1ENPP3ENPP1
SCHEMBL1481406 1.00 KDM4E (0.62) KDM4EMAPTTRPA1ENPP3ENPP1
SCHEMBL1481409 1.00 KDM4E (0.62) KDM4EMAPTTRPA1ENPP3ENPP1
SCHEMBL12754175 0.90 MAPT (0.55) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1481561 0.87 MAPT (0.50) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1480924 0.87 MAPT (0.50) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1480927 0.87 MAPT (0.50) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1481565 0.87 MAPT (0.50) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1480816 0.85 AHR (0.52) KDM4EMAPTTRPA1NPC1RAB9A
SCHEMBL1480818 0.85 AHR (0.52) KDM4EMAPTTRPA1NPC1RAB9A

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
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed