SCHEMBL6971893

SCHEMBL6971893

O=C(O)Cc1coc(-c2ccc(Br)cc2)n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.45
PDE4B Q07343 1/20 0.45

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
SCHEMBL5200302 0.86 LMNA (0.52) LMNAGAATSHRKMT2AHPGD
SCHEMBL4415483 0.85 LMNA (0.58) HDAC1HDAC8HDAC6LMNAGAA
Hydrochloric Acid SCHEMBL1374005 0.84 LMNA (0.57) HDAC1HDAC8HDAC6LMNAGAA
SCHEMBL10029593 0.79 LMNA (0.38) LMNAGAATSHRKMT2AHPGD
SCHEMBL5117052 0.78 HDAC1 (0.56) HDAC1HDAC8HDAC6LMNAGAA
SCHEMBL6975571 0.78 HDAC1 (0.49) HDAC1HDAC8HDAC6LMNAGAA
SCHEMBL2225496 0.77 HDAC1 (0.47) HDAC1HDAC8HDAC6LMNATSHR
SCHEMBL3060561 0.76 FFAR1 (0.50) LMNA
SCHEMBL3071306 0.76 FFAR1 (0.50) LMNAGAATSHRKMT2AHPGD
SCHEMBL6971887 0.76 HDAC1 (0.56) HDAC1HDAC8HDAC6LMNAGAA

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