SCHEMBL24328709

SCHEMBL24328709

O=C(O)c1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 18/20 0.76
ALDH1A1 P00352 2/20 0.62
NPC1 O15118 1/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL23680788 0.86 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23675337 0.85 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL31482909 0.85 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23675143 0.83 HPGD (0.84) HPGDALDH1A1SMN1; SMN2
SCHEMBL24463674 0.82 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
SCHEMBL24463713 0.82 HPGD (0.82) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23675179 0.80 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
SCHEMBL24463679 0.80 HPGD (0.83) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23680568 0.77 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23675340 0.77 HPGD (1.00) HPGDALDH1A1NPC1GLARAB9A

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