SCHEMBL24329027

SCHEMBL24329027

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

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.73
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
ITK Q08881 2/20 0.40
INSR P06213 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL24329029 0.87 HPGD (0.62) HPGDKMT2AMEN1KDM2BTP53
SCHEMBL23675179 0.84 HPGD (1.00) HPGDALDH1A1
SCHEMBL24329026 0.78 HPGD (0.58) HPGDKMT2AMEN1TP53MAPT
SCHEMBL23675143 0.76 HPGD (0.84) HPGDALDH1A1
SCHEMBL24463679 0.75 HPGD (0.83) HPGDALDH1A1
SCHEMBL24463674 0.74 HPGD (1.00) HPGDALDH1A1
SCHEMBL24328710 0.73 HPGD (0.79) HPGDKMT2AMEN1MAPTALDH1A1
SCHEMBL23675292 0.71 HPGD (0.84) HPGDKMT2AMEN1TP53MAPT
SCHEMBL29995196 0.71 HPGD (0.84) HPGDKMT2AMEN1TP53MAPT
SCHEMBL6469077 0.71 ITK (0.50) ITKINSR

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