SCHEMBL27660434

SCHEMBL27660434

CCC=Cc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NFE2L2 Q16236 1/20 0.32
PADI4 Q9UM07 1/20 0.30

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
SCHEMBL25584995 0.77 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10423128 0.76 AOC1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25920282 0.76 NFE2L2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4422413 0.74 HTR2A (0.37) CHRNB2CHRNA4
SCHEMBL4422410 0.74 HTR2A (0.37) CHRNB2CHRNA4
SCHEMBL22714727 0.74 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL256706 0.74 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2305391 0.74 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5328723 0.73 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5328710 0.73 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
CN-100480340-C Aqueous ink TOAGOSEI CO LTD (JP) 2009-04-22 CN disclosed
CN-1826395-A water-soluble ink TOAGOSEI CO LTD (JP) 2006-08-30 CN disclosed