SCHEMBL5290702

SCHEMBL5290702

CN1C=CN(c2ccccc2)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 5/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
GFER P55789 1/20 0.32

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
Iodide SCHEMBL26097209 0.98 MAPT (0.37) MAPTNPSR1GAAALDH1A1RECQL
SCHEMBL1830962 0.83 RECQL (0.44) MAPTNPSR1GAAALDH1A1RECQL
SCHEMBL23225702 0.78 SLC6A2 (0.36) NPSR1GAAALDH1A1RECQLPOLB
SCHEMBL26704216 0.78 MAOA (0.36) NPSR1GAAALDH1A1KDM4ETSHR
SCHEMBL27951184 0.78 AKT1 (0.39)
SCHEMBL5287089 0.77 DRD2 (0.39) MAPTNPSR1GAARECQLSMN1; SMN2
SCHEMBL5282609 0.76 NPSR1 (0.35) MAPTNPSR1GAAALDH1A1RECQL
SCHEMBL5333137 0.76 MAPT (0.38) MAPTNPSR1GAAALDH1A1RECQL
SCHEMBL18250336 0.75 MAOA (0.36) MAPTGAAALDH1A1SMN1; SMN2POLB
SCHEMBL1834758 0.75 MAOA (0.36) MAPTGAAALDH1A1SMN1; SMN2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed