SCHEMBL29851972

SCHEMBL29851972

O=C(O)c1cnnn1-c1ccc(-c2ccc(-n3nncc3C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RPA1 P27694 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HSD11B1 P28845 6/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2077909 0.87 ALDH1A1 (0.51) RPA1ALDH1A1GAAHTTHSD11B1
SCHEMBL14705877 0.86 L3MBTL1 (0.48) TSHRMEN1KMT2ACYP3A4CYP2D6
SCHEMBL16245907 0.86 HSD11B1 (0.51) TSHRMEN1KMT2ARPA1SMN1; SMN2
SCHEMBL31499492 0.84 PIM2 (0.44) TSHRCYP2D6MAPTCYP2C19HSD11B1
SCHEMBL28823984 0.83 BRS3 (0.43) KMT2ASMN1; SMN2GAA
SCHEMBL28824102 0.82 MAPK9 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL28824030 0.82 DHODH (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28824005 0.82 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL28824037 0.82 MCL1 (0.46) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28824043 0.82 KMT2A (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed