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Sugi Predict / Compounds / SCHEMBL31482909

SCHEMBL31482909

SCHEMBL31482909

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 15/20 1.00
▸ ALDH1A1 P00352 2/20 0.56
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ 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
▸ CRBN Q96SW2 1/20 0.47

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
SCHEMBL23675337 1.00 HPGD (1.00) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL23675307 0.85 HPGD (1.00) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL24328709 0.85 HPGD (0.76) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL23680788 0.84 HPGD (1.00) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL29995196 0.84 HPGD (0.84) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL23675292 0.84 HPGD (0.84) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL24463713 0.80 HPGD (0.82) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL24463679 0.79 HPGD (0.83) HPGDALDH1A1NPC1GLARAB9A
SCHEMBL24328710 0.78 HPGD (0.79) HPGDALDH1A1KMT2AMEN1
SCHEMBL24463674 0.78 HPGD (1.00) HPGDALDH1A1SMN1; SMN2

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-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 — — CN disclosed