SCHEMBL24329029

SCHEMBL24329029

CCOC(=O)CCc1nc2cc(C(=O)C3CCCCCCC3)ccc2n1-c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.62
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.41
KDM2B Q8NHM5 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL24329027 0.87 HPGD (0.73) HPGDMAPTKMT2AMEN1TP53
SCHEMBL23675292 0.85 HPGD (0.84) HPGDMAPTKMT2AMEN1TP53
SCHEMBL29995196 0.85 HPGD (0.84) HPGDMAPTKMT2AMEN1TP53
SCHEMBL23675307 0.77 HPGD (1.00) HPGDKMT2AMEN1ALDH1A1
SCHEMBL24328710 0.77 HPGD (0.79) HPGDMAPTKMT2AMEN1ALDH1A1
SCHEMBL24329026 0.75 HPGD (0.58) HPGDMAPTKMT2AMEN1TP53
SCHEMBL24463679 0.73 HPGD (0.83) HPGDALDH1A1
SCHEMBL23675143 0.72 HPGD (0.84) HPGDALDH1A1
SCHEMBL23675179 0.71 HPGD (1.00) HPGDALDH1A1
SCHEMBL3062222 0.70 MEN1 (0.64) MAPTKMT2AMEN1TP53ALDH1A1

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