SCHEMBL6971887

SCHEMBL6971887

O=C(O)Cc1coc(-c2ccccc2Br)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.41
C1R P00736 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
NFKB1 P19838 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
AKR1B1 P15121 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL28620228 0.82 NR4A2 (0.48) LMNAKMT2AC1RTP53RAB9A
SCHEMBL4415483 0.80 LMNA (0.58) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL6975567 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6LMNAKMT2A
Hydrochloric Acid SCHEMBL1374005 0.78 LMNA (0.57) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL6965803 0.78 HDAC1 (0.50) HDAC1HDAC8HDAC6KMT2AC1R
SCHEMBL6964586 0.76 HDAC1 (0.48) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL6971893 0.76 HDAC1 (0.54) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL10029577 0.75 LMNA (0.38) LMNAKMT2ASMN1; SMN2GAATSHR
SCHEMBL5117052 0.72 HDAC1 (0.56) HDAC1HDAC8HDAC6LMNAKMT2A
SCHEMBL628790 0.72 NOTUM (0.49) LMNAKMT2AGAATSHRAKR1B1

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