SCHEMBL14410532

SCHEMBL14410532

CC1(C)/C(=C2\C(=O)/C(=C3/Nc4ccccc4C3(C)C)c3ccccc32)Nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.55
▸ PDK4 Q16654 1/20 0.55
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CASP1 P29466 1/20 0.37

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
SCHEMBL14159310 0.83 PDK2 (0.46) PDK2PDK4ALDH1A1KDM4EHSD17B10
SCHEMBL8254175 0.73 PDK2 (0.60) PDK2PDK4MAOAMAOBALDH1A1
SCHEMBL15453585 0.72 CA1 (0.53) PDK2PDK4ALDH1A1MAPT
SCHEMBL15453587 0.72 CA1 (0.53) PDK2PDK4ALDH1A1MAPT
SCHEMBL29518706 0.71 PDK2 (1.00) PDK2PDK4ALDH1A1MEN1KMT2A
SCHEMBL319934 0.71 PDK2 (1.00) PDK2PDK4ALDH1A1MEN1KMT2A
SCHEMBL31911 0.70 PDK2 (0.67) PDK2PDK4MAOAMAPTALOX15
SCHEMBL29371027 0.70 PDK2 (0.67) PDK2PDK4MAOAMAPTALOX15
SCHEMBL24556302 0.70 PDK2 (0.40) PDK2PDK4MAOAMAOBMEN1
SCHEMBL28706253 0.68 PDK2 (0.64) PDK2PDK4MAOAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1832633-B1 Ink-jet recording ink set and ink-jet recording method FUJIFILM CORP (JP) 2016-11-30 — — EP disclosed
EP-1905608-B2 Ink jet recording method and ink jet recording device FUJIFILM CORP (JP) 2016-11-23 — — EP disclosed
EP-2270110-B1 PIGMENT-DISPERSED COMPOSITION, COLORED PHOTOSENSITIVE COMPOSITION, PHOTOCURABLE COMPOSITION, COLOR FILTER, LIQUID CRYSTAL DISPLAY ELEMENT, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORP (JP) 2015-02-25 — — EP disclosed
EP-1905610-B1 Ink jet recording method and device FUJIFILM CORP (JP) 2013-10-16 — — EP disclosed
EP-2042921-A2 Pigment dispersion composition, photocurable composition and color filter FUJIFILM Corporation (JP) 2009-04-01 — — EP disclosed
EP-1832633-A1 Ink-jet recording ink set and ink-jet recording method FUJIFILM Corporation (JP) 2007-09-12 — — EP disclosed
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