SCHEMBL6612985

SCHEMBL6612985

COC(=O)C(C)c1nc(-c2ccccc2Br)oc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TP53 P04637 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.39
C1R P00736 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL13721722 0.82 TARBP2 (0.50) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL5216035 0.80 TARBP2 (0.54) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL6614503 0.73 ALOX5 (0.43) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL4473982 0.72 PTPN1 (0.48) MAPTTP53HDAC1HDAC8HDAC6
SCHEMBL5220019 0.71 TARBP2 (0.38) MAPTTP53HSD17B10KDM4ELMNA
SCHEMBL4470229 0.69 KMT2A (0.42) MAPTSMN1; SMN2NPC1RAB9ATP53
SCHEMBL31042985 0.68 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2A
SCHEMBL31383801 0.67 CYP2C19 (0.49) ALDH1A1HPGDLMNAKMT2APOLB
SCHEMBL1345452 0.67 CYP2C19 (0.49) ALDH1A1HPGDLMNAKMT2APOLB
SCHEMBL8573767 0.66 GAA (0.51) MAPTSMN1; SMN2NPC1RAB9ATP53

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-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed