SCHEMBL29951234

SCHEMBL29951234

CC(=O)N1Cc2c(B(O)O)cccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.45
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES1 P23141 1/20 0.35
HSD17B3 P37058 1/20 0.34
GFER P55789 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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 0.79 POLB (0.38) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL29957027 0.75 HTT (0.44) MEN1KMT2AHTT
SCHEMBL29951946 0.75 IDH1 (0.44) KDM4EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29957631 0.75 HSD17B3 (0.44) NOTUMKDM4EHTTSMN1; SMN2HSD17B3
SCHEMBL29951915 0.74 UGCG (0.58) MEN1KMT2AHTTSMN1; SMN2CYP2D6
SCHEMBL2558098 0.73 PARP1 (0.41) KDM4EMEN1KMT2AHTT
SCHEMBL29954152 0.73 HTT (0.43) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL29956559 0.72 HRH3 (0.40) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL31373871 0.71 KDM4E (0.59) NOTUMKDM4EMEN1KMT2AALDH1A1
SCHEMBL24874051 0.71 NOTUM (0.69) NOTUMCYP2D6CYP2C9

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