SCHEMBL6897435

SCHEMBL6897435

CC(C)Oc1cccc2c1[N]c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MCHR1 Q99705 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KCNN4 O15554 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 1/20 0.36
NISCH Q9Y2I1 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
TLR8 Q9NR97 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL6897172 0.76 ALDH1A1 (0.43) ALDH1A1NPSR1PDE5AALOX15
SCHEMBL5601783 0.73 GABRA1 (0.39) CA1CA2CA9MEN1KMT2A
SCHEMBL3632568 0.72 IRAK4 (0.50) CA1CA2CA7CA9MCHR1
SCHEMBL31634047 0.72 IRAK4 (0.50) CA1CA2CA7CA9MCHR1
SCHEMBL29591819 0.70 ALDH1A1 (0.57) CA1CA2CA7CA9MCHR1
SCHEMBL2069775 0.70 ALDH1A1 (0.57) CA1CA2CA7CA9MCHR1
SCHEMBL3879642 0.69 PDK2 (0.42) MEN1POLBKMT2AALDH1A1
SCHEMBL5602257 0.68 NPC1 (0.41) ALDH1A1ACHENISCHNPSR1
SCHEMBL5600727 0.68 TSHR (0.46) ALDH1A1NISCH
SCHEMBL30317504 0.67 CA1 (0.44) CA1CA2CA7CA9MCHR1

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
JP-2004315495-A NEW ARYLAMINE DERIVATIVE HAVING FLUORENE SKELETON, SYNTHETIC INTERMEDIATE OF THE SAME, METHOD FOR PRODUCING THEM AND ORGANIC EL ELEMENT TOSOH CORP 2004-11-11 JP disclosed