SCHEMBL29952974

SCHEMBL29952974

Cc1ccc(B(O)O)c(-n2cccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
G6PD P11413 1/20 0.47
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
KAT6A Q92794 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
CYP3A4 P08684 2/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL15573902 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL29951340 0.80 KDM4E (0.44) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL16727179 0.80 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL2650286 0.80 MAPK1 (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL31175950 0.77 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL6265412 0.76 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3465305 0.74 NOTUM (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL14951066 0.74 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL21943421 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9911399 0.73 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E

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