SCHEMBL8038702

SCHEMBL8038702

O=C(O)c1ccc2c(c1)ncn2Cc1ncc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.65
▸ FGFR1 P11362 1/20 0.48
▸ HCAR3 P49019 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NR1I2 O75469 1/20 0.42

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
SCHEMBL8036263 0.84 PPARG (0.74) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8036266 0.83 PPARG (0.76) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4565573 0.83 PPARG (0.73) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4565326 0.83 PPARG (0.75) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8039674 0.82 PPARG (0.77) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8032078 0.81 PPARG (0.62) PPARGFGFR1HCAR3THRBNR1I2
SCHEMBL8035855 0.81 PPARG (0.67) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4564519 0.80 PPARG (0.66) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8023621 0.80 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4534887 0.79 PPARG (0.98) PPARGCYP1A2CYP3A4CYP2D6CYP2C9

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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