SCHEMBL29950679

SCHEMBL29950679

CCNC(=O)c1cc(B(O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
PSMB8 P28062 2/20 0.42
PSMB5 P28074 2/20 0.42
PSMB11 A5LHX3 1/20 0.42
PSMA7 O14818 1/20 0.42
NFKB1 P19838 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMA1 P25786 1/20 0.42
PSMA2 P25787 1/20 0.42
PSMA3 P25788 1/20 0.42

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
SCHEMBL18282327 1.00 HSD17B10 (0.47) HSD17B10KMT2ALMNAHPGDCYP1A2
SCHEMBL29953833 0.88 HSD17B10 (0.62) HSD17B10KMT2AHPGDCYP1A2CYP3A4
SCHEMBL29955017 0.88 POLB (0.51) LMNAHPGDCYP1A2CYP2C19NPC1
SCHEMBL29952526 0.85 HPGD (0.61) HSD17B10KMT2ALMNAHPGDCYP1A2
SCHEMBL29953067 0.82 SMN1; SMN2 (0.51) HSD17B10KMT2ALMNAHPGDCYP1A2
SCHEMBL29954131 0.81 LMNA (0.42) KMT2ALMNATSHRHTTPSMB8
SCHEMBL7218397 0.80 LMNA (0.67) HSD17B10KMT2ALMNAHPGDCYP1A2
SCHEMBL18789436 0.80 MEN1 (0.54) KMT2AHPGDNPC1ALDH1A1
SCHEMBL470072 0.79 SMN1; SMN2 (0.43) KMT2ALMNAHPGDNPC1HTT
SCHEMBL12163930 0.79 LMNA (0.53) HSD17B10KMT2ALMNAHPGDCYP1A2

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