SCHEMBL30093022

SCHEMBL30093022

CN(C(=O)CNc1ccccc1C(=O)NCc1ccco1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.62
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 4/20 0.62
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 3/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.49
SGMS2 Q8NHU3 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL23412369 1.00 HPGD (0.62) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL25061002 0.79 HPGD (0.76) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL16676602 0.77 HPGD (0.66) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL29845739 0.75 HPGD (0.70) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL23413032 0.75 HPGD (0.70) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL30093044 0.75 KDM4E (0.77) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL23412452 0.75 KDM4E (0.77) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL23440529 0.74 USP2 (0.48) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL18893159 0.74 HPGD (0.61) HPGDKDM4EALDH1A1NPSR1MAPT
SCHEMBL23412448 0.74 HPGD (0.71) HPGDKDM4EALDH1A1NPSR1MAPT

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
CN-115397806-A Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase 增益治疗股份有限公司 2022-11-25 CN disclosed