SCHEMBL5171024

SCHEMBL5171024

C=Cc1ccc(C[N+](CC)(CC)Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.52
CHRNB4 P30926 7/20 0.52
CHRNA3 P32297 7/20 0.52
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
APOBEC3A P31941 1/20 0.40

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
Hydrochloric Acid SCHEMBL475594 0.98 CHRNA7 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1476194 0.89 CHRNA7 (0.51) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Bromide SCHEMBL15259666 0.87 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL419353 0.87 CHRNA7 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1269439 0.82 KDM4E (0.54) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3136224 0.82 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3136219 0.82 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL789390 0.82 CHRNA7 (0.46) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5279568 0.81 ALDH1A1 (0.48) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL26460073 0.81 CHRNA7 (0.49) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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
EP-1650274-B1 Ink FUJIFILM CORP (JP) 2007-11-14 EP disclosed
EP-1519370-B1 Information medium with printable surface layer FUJIFILM CORP (JP) 2007-05-02 EP disclosed