SCHEMBL24329026

SCHEMBL24329026

O=C(O)CCc1nc2cc(C(=O)CCC3CCCCC3)ccc2n1-c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.58
ACHE P22303 5/20 0.43
BCHE P06276 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL23675143 0.81 HPGD (0.84) HPGDALDH1A1
SCHEMBL24329027 0.78 HPGD (0.73) HPGDKMT2AMEN1MAPTTP53
SCHEMBL24329029 0.75 HPGD (0.62) HPGDKMT2AMEN1MAPTTP53
SCHEMBL24463679 0.73 HPGD (0.83) HPGDALDH1A1
SCHEMBL23675179 0.73 HPGD (1.00) HPGDALDH1A1
SCHEMBL24328710 0.71 HPGD (0.79) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL29995196 0.70 HPGD (0.84) HPGDKMT2AMEN1MAPTTP53
SCHEMBL23675292 0.70 HPGD (0.84) HPGDKMT2AMEN1MAPTTP53
SCHEMBL12135518 0.70 PTGER1 (0.50) HPGDKMT2AMEN1THRB
SCHEMBL24463674 0.67 HPGD (1.00) HPGDALDH1A1

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
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed