SCHEMBL29951915

SCHEMBL29951915

O=C1c2cccc(B(O)O)c2CN1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 8/20 0.58
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
PKM P14618 3/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD1 P21728 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL29951975 0.78 POLB (0.38) UGCGSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29956327 0.76 NPC1 (0.53) NPC1RAB9APKMTP53SMN1; SMN2
SCHEMBL29951234 0.74 NOTUM (0.45) SMN1; SMN2MEN1KMT2ACYP2D6HTT
SCHEMBL29957027 0.74 HTT (0.44) MEN1KMT2AHTT
SCHEMBL29951946 0.74 IDH1 (0.44) NPC1MEN1KMT2AHTT
SCHEMBL21212756 0.73 UGCG (0.55) UGCGNPC1RAB9A
SCHEMBL28360719 0.72 UGCG (0.53) UGCGNPC1RAB9APKMMEN1
SCHEMBL29954152 0.72 HTT (0.43) RAB9AMEN1KMT2ALMNAGAA
SCHEMBL2558098 0.72 PARP1 (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL30083042 0.71 HTR7 (0.50) UGCGNPC1RAB9ALMNACYP2D6

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