SCHEMBL12700128

SCHEMBL12700128

O=C1c2cc3ccccc3cc2C(=O)C1c1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ESR1 P03372 2/20 0.53
▸ CTSD P07339 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL21306716 0.76 MAPT (0.56) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL12700119 0.75 SMN1; SMN2 (0.52) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL21817022 0.73 RAB9A (1.00) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL29350835 0.73 RAB9A (1.00) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL42716 0.73 RAB9A (1.00) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL9513625 0.71 RAB9A (0.96) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL7791036 0.71 RAB9A (0.96) ALDH1A1MAPTMEN1NPC1TP53
Methane SCHEMBL725576 0.71 RAB9A (0.96) ALDH1A1MAPTMEN1NPC1TP53
Ethyne SCHEMBL6237008 0.70 RAB9A (0.93) ALDH1A1MAPTMEN1NPC1TP53
SCHEMBL13356704 0.69 ESR1 (0.76) ALDH1A1MAPTMEN1NPC1TP53

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-2012128233-A1 COLORED COMPOSITION FOR COLOR FILTERS, AND COLOR FILTERS 東洋インキSCホールディングス株式会社 (JP) 2012-09-27 — — WO disclosed
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