SCHEMBL12071146

SCHEMBL12071146

Cc1cc(/N=N/c2ccc(C(F)(F)F)cc2)c(C)cc1/N=N/c1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ SLC6A9 P48067 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GSK3B P49841 3/20 0.40

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
SCHEMBL12071125 0.93 ALDH1A1 (0.47) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12071123 0.93 ALDH1A1 (0.47) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12069706 0.90 MAPT (0.41) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL18409048 0.88 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12069726 0.88 AKR1C3 (0.57) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12071138 0.85 MAPT (0.44) AKR1C3ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14866834 0.85 GAA (0.46) AKR1C3ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL17278976 0.84 AKR1C3 (0.54) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12070551 0.82 MAPK1 (0.40) AKR1C3ALDH1A1MAPTSMN1; SMN2THRB
SCHEMBL12069678 0.82 MAPK1 (0.40) AKR1C3ALDH1A1MAPTSMN1; 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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