SCHEMBL12334654

SCHEMBL12334654

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.70
▸ MAPK1 P28482 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PYGL P06737 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GRM4 Q14833 1/20 0.49
▸ AVPR2 P30518 1/20 0.48
▸ GPR27 Q9NS67 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ P2RX1 P51575 2/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46

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
SCHEMBL12334655 0.88 RORC (0.71) RORCMAPK1MEN1LMNAPOLB
SCHEMBL12334579 0.86 SNCA (0.59) RORCMAPK1LMNAMAPTKMT2A
SCHEMBL12334377 0.84 RORC (0.58) RORCMAPK1MEN1LMNAPOLB
SCHEMBL31078114 0.82 RORC (1.00) RORCMAPK1MEN1LMNAPOLB
SCHEMBL12334368 0.82 RORC (1.00) RORCMAPK1MEN1LMNAPOLB
SCHEMBL14228287 0.80 PYGL (0.59) MAPK1MEN1KMT2APYGLGRM4
SCHEMBL94746 0.79 PYGL (0.54) MAPK1MEN1LMNAMAPTKMT2A
SCHEMBL17142908 0.79 JAK2 (0.61) MAPK1MEN1LMNAPOLBKMT2A
SCHEMBL17143174 0.79 PYGL (0.54) MAPK1MEN1MAPTKMT2APYGL
SCHEMBL5314331 0.79 RORC (0.79) RORCMAPK1MEN1LMNAPOLB

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-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 — — WO disclosed
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