SCHEMBL19648735

SCHEMBL19648735

FC(F)(F)c1ccc(NNc2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ LMNA P02545 4/20 0.52
▸ AKR1C3 P42330 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 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
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RECQL P46063 1/20 0.44

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 0.91 AKR1C3 (0.57) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL12069726 0.91 AKR1C3 (0.57) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL19648915 0.89 CA2 (0.44) MAPTLMNAAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL17278976 0.87 AKR1C3 (0.54) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL19844446 0.84 AKR1C3 (0.50) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL2203983 0.82 AKR1C3 (0.68) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL19648743 0.80 MAPT (0.52) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL12071146 0.80 AKR1C3 (0.47) MAPTLMNAAKR1C3TSHRNR4A1
SCHEMBL17368563 0.79 CA12 (0.47) MAPTLMNAAKR1C3TSHRALDH1A1
SCHEMBL12069818 0.79 CA12 (0.47) MAPTLMNAAKR1C3TSHRALDH1A1

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
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 — — EP disclosed
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