SCHEMBL29957027

SCHEMBL29957027

CCN1Cc2c(B(O)O)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDH1 O75874 7/20 0.41
DHPS P49366 2/20 0.39
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP1B1 Q16678 1/20 0.36
HSP90AB1 P08238 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL29954152 0.88 HTT (0.43) HTTMAPTMEN1KMT2AIDH1
SCHEMBL2558098 0.85 PARP1 (0.41) HTTMAPTMEN1KMT2ADHPS
SCHEMBL29956559 0.84 HRH3 (0.40) HTTMAPTMEN1KMT2ADHPS
SCHEMBL12164213 0.79 MEN1 (0.45) HTTMAPTMEN1KMT2AIDH1
SCHEMBL29951975 0.79 POLB (0.38) HTTMEN1KMT2APOLB
SCHEMBL23350137 0.78 MAPK1 (0.48) HTTMAPTMEN1KMT2AIDH1
SCHEMBL21025963 0.78 IDH1 (0.43) HTTMAPTMEN1KMT2AIDH1
SCHEMBL1949749 0.78 BRD4 (0.44) HTTMAPTMEN1KMT2AIDH1
SCHEMBL17050405 0.75 IDH1 (0.47) HTTMAPTMEN1KMT2AIDH1
SCHEMBL24761863 0.75 HRH3 (0.45) HTTMAPTMEN1KMT2AIDH1

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