SCHEMBL8038655

SCHEMBL8038655

O=C(O)c1ccc2c(c1)ncn2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.64
▸ BRD4 O60885 2/20 0.54
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NR1I2 O75469 2/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HCAR3 P49019 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ SCD O00767 2/20 0.47

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
SCHEMBL8032078 0.88 PPARG (0.62) PPARGBRD4MEN1TP53PABPC1
SCHEMBL16713345 0.85 PKM (0.54) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL2314932 0.84 SCD (0.66) PPARGHDAC6SCD
SCHEMBL22533960 0.82 MEN1 (0.49) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL28720229 0.82 HCAR3 (0.49) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL29424692 0.82 HCAR3 (0.49) PPARGMEN1TP53PABPC1KMT2A
SCHEMBL2316656 0.82 SCD (0.66) SCD
SCHEMBL8038702 0.78 PPARG (0.65) PPARGNR1I2HCAR3FGFR1
SCHEMBL13508660 0.78 CYP11B1 (0.57) PPARGBRD4MEN1TP53PABPC1
SCHEMBL1608124 0.77 HDAC6 (0.63) PPARGBRD4HDAC1HDAC6SCD

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
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