SCHEMBL29995196

SCHEMBL29995196

CCOC(=O)CCc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.84
ALDH1A1 P00352 3/20 0.52
CNR2 P34972 1/20 0.51
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL23675292 1.00 HPGD (0.84) HPGDALDH1A1CNR2MAPTKMT2A
SCHEMBL24328710 0.91 HPGD (0.79) HPGDALDH1A1CNR2MAPTKMT2A
SCHEMBL23675307 0.91 HPGD (1.00) HPGDALDH1A1CNR2KMT2AMEN1
SCHEMBL24463679 0.88 HPGD (0.83) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23675143 0.87 HPGD (0.84) HPGDALDH1A1SMN1; SMN2
SCHEMBL23675179 0.87 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
SCHEMBL24329029 0.85 HPGD (0.62) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL23675337 0.84 HPGD (1.00) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL31482909 0.84 HPGD (1.00) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL24463713 0.83 HPGD (0.82) 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
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed