SCHEMBL19648939

SCHEMBL19648939

Fc1ccc(NNc2ccc(NNc3ccc(N4CCCC4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.59
▸ NPC1 O15118 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ TP53 P04637 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ GFER P55789 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1821338 0.87 ALDH1A1 (0.70) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL12799147 0.85 NPC1 (0.71) MAPTNPC1RAB9ATP53MAPK1
Hydrochloric Acid SCHEMBL22031645 0.85 MAPT (0.68) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL2064358 0.85 NPC1 (0.71) MAPTNPC1RAB9ATP53MAPK1
Hydrochloric Acid SCHEMBL2159983 0.83 NPC1 (0.69) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL16404482 0.83 MAPT (0.64) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL19648733 0.80 MAPT (0.70) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL19648817 0.79 CA2 (0.51) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL5760520 0.79 NPC1 (0.65) MAPTNPC1RAB9ATP53MAPK1
SCHEMBL2464412 0.79 GAA (0.67) MAPTNPC1RAB9ATP53MAPK1

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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