SCHEMBL29954796

SCHEMBL29954796

O=C1Cc2ccc(B(O)O)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.56
CMA1 P23946 2/20 0.56
EIF2AK2 P19525 1/20 0.54
PDK2 Q15119 1/20 0.48
CRBN Q96SW2 3/20 0.47
SMYD3 Q9H7B4 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CA9 Q16790 1/20 0.39
TDP2 O95551 5/20 0.38
KDM1A O60341 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
EPHX2 P34913 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL15415750 1.00 AHR (0.56) AHRCMA1EIF2AK2PDK2CRBN
SCHEMBL14485082 0.86 AHR (0.56) AHRCMA1EIF2AK2PDK2SMYD3
SCHEMBL29951659 0.86 AHR (0.56) AHRCMA1EIF2AK2PDK2SMYD3
SCHEMBL18094182 0.84 CA9 (0.57) CRBNSMYD3CA9
SCHEMBL1833499 0.76 AHR (0.61) AHRCMA1EIF2AK2PDK2CRBN
SCHEMBL31478025 0.76 AHR (0.61) AHRCMA1EIF2AK2PDK2CRBN
SCHEMBL1854108 0.75 EIF2AK2 (0.68) AHRCMA1EIF2AK2PDK2CRBN
SCHEMBL4594796 0.74 NPC1 (0.50) CRBNSMYD3PDE3BPDE3ACA9
SCHEMBL426952 0.72 MMP12 (0.61) SMYD3
SCHEMBL19042841 0.72 AHR (0.61) AHRCMA1EIF2AK2PDK2CRBN

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