SCHEMBL23680838

SCHEMBL23680838

C=CNCCNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.45
MGLL Q99685 1/20 0.42
LRRK2 Q5S007 1/20 0.36
DDR1 Q08345 3/20 0.35
VNN1 O95497 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
HTR1A P08908 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
PLD2 O14939 1/20 0.33
PLD1 Q13393 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL23680603 0.90 HPGD (0.48) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23675236 0.89 HPGD (0.47) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23675239 0.87 HPGD (0.49) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23680607 0.87 HPGD (0.51) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23675155 0.87 HPGD (0.46) HPGDMGLLLRRK2DDR1IRAK4
SCHEMBL23680775 0.83 HPGD (0.47) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23680706 0.82 HPGD (0.54) HPGDMGLLLRRK2VNN1
SCHEMBL23680617 0.82 HPGD (0.47) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23675201 0.82 HPGD (0.54) HPGDMGLLLRRK2DDR1VNN1
SCHEMBL23680616 0.82 HPGD (0.61) HPGDMGLLLRRK2VNN1

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