SCHEMBL13600367

SCHEMBL13600367

CN(Cc1ccccc1OBO)Cc1c2ccccc2c(CN(C)Cc2ccccc2B(O)O)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.35
CYP2C9 P11712 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPE Q05469 1/20 0.35
CARM1 Q86X55 4/20 0.34
PRMT1 Q99873 4/20 0.34
ENPP2 Q13822 2/20 0.33
CYP3A4 P08684 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL16075822 0.88 ACHE (0.37) MEN1KMT2ATSHRBCHEACHE
SCHEMBL26085720 0.86 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL1839968 0.85 CYP2D6 (0.49) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL16185953 0.80 NPC1 (0.34) MEN1KMT2AHSD17B10BCHEACHE
SCHEMBL17988436 0.80 ACHE (0.32) MEN1KMT2ABCHEACHE
SCHEMBL24274700 0.80 CYP2D6 (0.44) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL21143034 0.79 CYP2D6 (0.42) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL21579184 0.77 CYP2D6 (0.47) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL15031011 0.77 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL13990680 0.76 CYP2D6 (0.41) CYP1A2CYP2D6CYP2C19MEN1KMT2A

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
US-7635595-B2 Fluorescent probes for saccharrides LAKOWICZ JOSEPH R 2009-12-22 US disclosed