SCHEMBL19648743

SCHEMBL19648743

Cc1cc(NNc2ccc(C(F)(F)F)cc2)c(C)cc1NNc1ccc(N2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.52
▸ LMNA P02545 6/20 0.52
▸ TSHR P16473 1/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.44
▸ GAA P10253 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ ALOX15 P16050 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CSF1R P07333 1/20 0.42

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
SCHEMBL19648938 0.82 MAPT (0.46) MAPTLMNAALDH1A1GAANPC1
SCHEMBL19648735 0.80 MAPT (0.52) MAPTLMNATSHRNR4A1AKR1C3
SCHEMBL2203983 0.78 AKR1C3 (0.68) MAPTLMNATSHRNR4A1AKR1C3
SCHEMBL19648817 0.76 CA2 (0.51) MAPTLMNAAKR1C3ALDH1A1GAA
SCHEMBL19648933 0.74 KIF11 (0.40) MAPTTSHRALDH1A1GAARAB9A
SCHEMBL3994030 0.73 EPHX2 (0.70) MAPTLMNAAKR1C3ALDH1A1GAA
SCHEMBL12071146 0.72 AKR1C3 (0.47) MAPTLMNATSHRNR4A1AKR1C3
SCHEMBL22169111 0.72 ALDH1A1 (0.64) MAPTLMNATSHRALDH1A1GAA
SCHEMBL19648924 0.71 LGMN (0.53) MAPTLMNAALDH1A1GAANPC1
SCHEMBL23059781 0.70 AKR1C3 (0.57) MAPTLMNATSHRNR4A1AKR1C3

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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