SCHEMBL13806887

SCHEMBL13806887

O=C(NNc1ccc(F)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 2/20 0.59
▸ P2RX1 P51575 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ MAPT P10636 1/20 0.55
▸ KCNK3 O14649 1/20 0.55
▸ KAT6A Q92794 1/20 0.54
▸ KCNQ3 O43525 2/20 0.54
▸ KCNQ2 O43526 2/20 0.54
▸ KCNE1 P15382 2/20 0.54
▸ KCNQ1 P51787 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TLR7 Q9NYK1 1/20 0.53
▸ KCNQ5 Q9NR82 1/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ CES2 O00748 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53

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
SCHEMBL30069240 0.88 LMNA (0.73) P2RX1LMNAPTGS1MAPTKCNK3
SCHEMBL30739967 0.85 LMNA (0.78) P2RX1LMNAPTGS1MAPTKCNK3
SCHEMBL20910377 0.79 PTGS2 (0.58) LMNAMAPTKCNK3KCNQ3KCNQ2
SCHEMBL28020270 0.79 KCNK3 (0.65) P2RX1LMNAMAPTKCNK3KAT6A
SCHEMBL16672355 0.79 NPY5R (0.45) DDR1LMNAMAPTNPSR1MEN1
SCHEMBL4766873 0.79 KCNK3 (0.72) P2RX1LMNAPTGS1MAPTKCNK3
SCHEMBL27389992 0.78 PTGS2 (0.75) LMNAMAPTKCNK3MEN1KMT2A
SCHEMBL16554416 0.77 KCNQ3 (0.51) DDR1MAPTKCNQ3KCNQ2KCNE1
SCHEMBL28971351 0.77 TLR7 (0.63) P2RX1LMNAPTGS1MAPTKCNK3
SCHEMBL11678493 0.76 MEN1 (0.51) LMNAMAPTNPSR1MEN1KMT2A

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-2009070533-A1 METHODS OF INHIBITING STEROYL COA DESATURASE COMPLEGEN, INC. (US) 2009-06-04 — — WO disclosed
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