SCHEMBL29956783

SCHEMBL29956783

Cc1cccc(-c2ccccc2B(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
PDK2 Q15119 1/20 0.42
ENPP3 O14638 1/20 0.41
ACHE P22303 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CHEK1 O14757 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41

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
SCHEMBL2932780 1.00 CNR2 (0.44) CNR2CNR1PDK2ENPP3ACHE
SCHEMBL5156114 0.84 BRD9 (0.40) CNR2CNR1PDK2ACHEMAPT
SCHEMBL29928761 0.82 MGLL (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL5124813 0.82 MGLL (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL29825499 0.82 MGLL (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL26702092 0.81 HSD17B10 (0.42) CNR2CNR1PDK2ACHENPC1
SCHEMBL28414965 0.81 ACHE (0.55) CNR2CNR1PDK2ENPP3ACHE
SCHEMBL7003183 0.81 ESR2 (0.46) PDK2ACHESMN1; SMN2HPGDMAPT
SCHEMBL31601135 0.81 ESR2 (0.46) PDK2ACHESMN1; SMN2HPGDMAPT
SCHEMBL6379712 0.81 HSD17B1 (0.48) MAP4K4PDGFRBPIM1FGFR1PDGFRA

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