SCHEMBL29953749

SCHEMBL29953749

CN(Cc1ccncc1)Cc1cccc(B(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.49
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC2A1 P11166 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SLC2A4 P14672 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ABHD6 Q9BV23 1/20 0.36

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
SCHEMBL6353060 0.87 ENPP2 (0.55) ENPP2LPLLIPGKDM4ESMN1; SMN2
SCHEMBL29955815 0.85 CHRNB2 (0.62) ENPP2LPLLIPGCHRNB2CHRNA4
SCHEMBL29954574 0.82 LPL (0.47) LPLLIPGCHRNB2CHRNA4CXCR1
SCHEMBL19492821 0.82 ENPP2 (0.56) ENPP2LPLLIPGCHRNB2CHRNA4
SCHEMBL29954447 0.80 CYP2D6 (0.52) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL1723229 0.79 ENPP2 (0.60) ENPP2LPLLIPGCHRNB2CHRNA4
SCHEMBL27947483 0.76 SMN1; SMN2 (0.50) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL28413768 0.74 ENPP2 (0.55) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL30093206 0.74 KDM4E (0.53) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL29957724 0.74 KDM4E (0.43) LIPGCHRNB2CHRNA4CXCR2KDM4E

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed