SCHEMBL23680783

SCHEMBL23680783

N#Cc1ccc(-n2ccc3cc(C(=O)N4CCCC4)cnc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
ADORA2A P29274 8/20 0.48
MGLL Q99685 4/20 0.48
EGLN2 Q96KS0 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
DDR1 Q08345 1/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL23680781 0.99 HPGD (0.66) HPGDADORA2AMGLLEGLN2MKNK1
SCHEMBL23680747 0.89 HPGD (0.52) HPGDADORA2AMGLLDDR1KDM1A
SCHEMBL23680590 0.89 HPGD (0.52) HPGDADORA2AMGLLDDR1
SCHEMBL23680615 0.87 HPGD (0.62) HPGDADORA2AMGLL
SCHEMBL23680822 0.87 HPGD (0.74) HPGDADORA2AMGLL
SCHEMBL24942223 0.87 HPGD (0.50) HPGDMGLLEGLN2KDM1A
SCHEMBL29257187 0.87 HPGD (0.50) HPGDMGLLEGLN2KDM1A
SCHEMBL23680752 0.86 HPGD (0.63) HPGDADORA2AMGLL
SCHEMBL23680748 0.86 HPGD (0.66) HPGDADORA2AMGLL
SCHEMBL24463744 0.86 HPGD (0.48) HPGDMGLLEGLN2KDM1A

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 2 patents. 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
WO-2021151014-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING MYOFORTE THERAPEUTICS, INC. (US) 2021-07-29 WO disclosed