SCHEMBL14217533

SCHEMBL14217533

N#Cc1ccc(CNCC2=CC=CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.45
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CYP19A1 P11511 2/20 0.38
SCN8A Q9UQD0 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14217534 0.80 MEN1 (0.44) CA1CA2MAOACYP1A2CYP2D6
SCHEMBL18807609 0.77 LOXL2 (0.34) LOXL2CA12CA1CA2CA4
SCHEMBL23879203 0.77 LOXL2 (0.71) LOXL2CACNA1GCACNA1BCA12CA1
SCHEMBL8897410 0.70 LOXL2 (0.61) LOXL2CACNA1GCACNA1BCA12CA1
SCHEMBL29912750 0.69 LOXL2 (0.65) LOXL2CACNA1GCACNA1BCA12CA1
SCHEMBL6396768 0.69 LOXL2 (0.59) LOXL2CACNA1GCACNA1BCA12CA1
SCHEMBL23015299 0.69 LOXL2 (0.59) LOXL2CACNA1GCACNA1BCA12CA1
SCHEMBL12707524 0.68
SCHEMBL21119483 0.67 GAA (0.51) CA12CA1CA2CA4CA9
SCHEMBL7050164 0.67 LOXL2 (0.61) LOXL2CACNA1GCACNA1BCA12CA1

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-1918261-A1 Chemical etching composition for the preparation of 3-d nanostructures Forschungszentrum Karlsruhe GmbH (DE) 2008-05-07 EP disclosed