Sugi Predict

Sugi Predict / Compounds / SCHEMBL4010294

SCHEMBL4010294

SCHEMBL4010294

CCS(=O)(=O)c1cccc(-c2cccc(-c3ccnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 18/20 1.00
▸ NR1H3 Q13133 16/20 1.00
▸ RXRA P19793 1/20 0.62
▸ PPARG P37231 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ BRD4 O60885 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
SCHEMBL4018359 0.92 NR1H2 (0.86) NR1H2NR1H3RXRAPPARG
SCHEMBL4012201 0.91 NR1H2 (0.84) NR1H2NR1H3RXRAPPARG
SCHEMBL4009737 0.91 NR1H2 (0.82) NR1H2NR1H3RXRAPPARG
SCHEMBL4013122 0.90 NR1H2 (0.81) NR1H2NR1H3RXRAPPARG
SCHEMBL4012168 0.88 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL4012022 0.88 NR1H2 (0.81) NR1H2NR1H3RXRA
SCHEMBL4013224 0.87 NR1H2 (0.77) NR1H2NR1H3RXRAPPARG
SCHEMBL4011385 0.87 NR1H2 (0.77) NR1H2NR1H3RXRAPPARG
SCHEMBL4013268 0.87 NR1H2 (0.81) NR1H2NR1H3RXRAPPARG
SCHEMBL4013299 0.87 NR1H2 (0.77) NR1H2NR1H3RXRAPPARGBRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed