SCHEMBL24329022

SCHEMBL24329022

O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)C1CCCCC(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
KDM2B Q8NHM5 5/20 0.38
MGLL Q99685 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SMO Q99835 1/20 0.31

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
SCHEMBL24329023 0.83 HPGD (0.38) HPGDKDM2BMGLLIRAK4
SCHEMBL23680753 0.82 HPGD (0.53) HPGDMGLL
SCHEMBL23680819 0.74 HPGD (0.67) HPGDMGLL
SCHEMBL24328715 0.74 IRAK4 (0.38) HPGDMGLLIRAK4
SCHEMBL24328716 0.73 MAPKAPK2 (0.49) HPGD
SCHEMBL23680739 0.72 HPGD (0.60) HPGDMGLL
SCHEMBL24329024 0.72 HPGD (0.36) HPGDKDM2BMGLLIRAK4
SCHEMBL24329042 0.71 HPGD (0.52) HPGDKDM2B
SCHEMBL23680747 0.69 HPGD (0.52) HPGDMGLL
SCHEMBL23680749 0.69 HPGD (0.53) HPGDMGLLIRAK4

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