SCHEMBL19648733

SCHEMBL19648733

Nc1ccc(NNc2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.70
ALDH1A1 P00352 11/20 0.70
GAA P10253 8/20 0.70
KDM4E B2RXH2 6/20 0.70
KMT2A Q03164 5/20 0.70
HTT P42858 5/20 0.70
L3MBTL1 Q9Y468 5/20 0.70
MEN1 O00255 4/20 0.70
NPSR1 Q6W5P4 3/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
ALOX15 P16050 3/20 0.70
USP2 O75604 2/20 0.70
TP53 P04637 1/20 0.70
POLB P06746 1/20 0.70
THRB P10828 1/20 0.70
RECQL P46063 1/20 0.70
HSD17B10 Q99714 1/20 0.70
GFER P55789 5/20 0.52
LMNA P02545 5/20 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
SCHEMBL33852 0.87 ALDH1A1 (0.91) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6204359 0.86 MAPT (0.74) MAPTALDH1A1GAAKDM4EKMT2A
Hydrochloric Acid SCHEMBL1153999 0.85 ALDH1A1 (0.95) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL1986101 0.85 ALDH1A1 (0.95) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL6608042 0.85 ALDH1A1 (0.95) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL156355 0.85 ALDH1A1 (0.95) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL19648927 0.85 MAPT (0.50) MAPTALDH1A1GAAKDM4EKMT2A
Hydrochloric Acid SCHEMBL9014036 0.83 ALDH1A1 (1.00) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL1858354 0.83 ALDH1A1 (0.82) MAPTALDH1A1GAAKDM4EKMT2A
SCHEMBL7128309 0.81 ALDH1A1 (0.79) MAPTALDH1A1GAAKDM4EKMT2A

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