SCHEMBL6964586

SCHEMBL6964586

N#CCc1coc(-c2ccccc2Br)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAB9A P51151 9/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
MAPT P10636 6/20 0.40
TP53 P04637 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
C1R P00736 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL28619274 0.81 HPGD (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2225025 0.81 KDM4E (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6965803 0.81 HDAC1 (0.50) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL2224915 0.79 DRD2 (0.50) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL6975567 0.78 HDAC1 (0.51) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL2224617 0.76 HDAC1 (0.44) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL24742228 0.76 IDH1 (0.39) MAPTL3MBTL1TSHRKMT2AMEN1
SCHEMBL6971887 0.76 HDAC1 (0.56) HDAC1HDAC8HDAC6RAB9ANPC1
SCHEMBL29987532 0.76 IDH1 (0.39) MAPTL3MBTL1TSHRKMT2AMEN1
SCHEMBL15752407 0.72 PDE4B (0.39) RAB9ANPC1MAPTALDH1A1L3MBTL1

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-1206457-B1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2003-10-15 EP claimed