SCHEMBL12069726

SCHEMBL12069726

FC(F)(F)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.57
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ LMNA P02545 4/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ GSK3B P49841 2/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HTT P42858 2/20 0.43

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
SCHEMBL18409048 1.00 AKR1C3 (0.57) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL17278976 0.95 AKR1C3 (0.54) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL19844446 0.92 AKR1C3 (0.50) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL19648735 0.91 MAPT (0.52) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL2203983 0.89 AKR1C3 (0.68) AKR1C3MAPTALDH1A1HPGDLMNA
SCHEMBL12071146 0.88 AKR1C3 (0.47) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL17368563 0.86 CA12 (0.47) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL12069818 0.86 CA12 (0.47) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL12071123 0.85 ALDH1A1 (0.47) AKR1C3MAPTALDH1A1SMN1; SMN2THRB
SCHEMBL12071125 0.85 ALDH1A1 (0.47) AKR1C3MAPTALDH1A1SMN1; SMN2THRB

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-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 — — EP disclosed
US-9057020-B2 Black dichroic dye BASF SE (DE) 2015-06-16 — — US disclosed
US-20130092874-A1 BLACK DICHROIC DYE BASF SE (DE) 2013-04-18 — — US disclosed
WO-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 — — WO disclosed
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