SCHEMBL29530476

SCHEMBL29530476

C#C[C@H]1CCCN1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCC[C@@H]1C=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTSK P43235 1/20 0.39
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL231219 0.89 HSD17B10 (0.55) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL3188564 0.89 HSD17B10 (0.55) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL889059 0.89 HSD17B10 (0.55) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL190173 0.88 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL40804 0.88 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL338312 0.88 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL10082580 0.85 HPGD (0.50) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL525478 0.85 HPGD (0.50) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL15317053 0.85 HPGD (0.50) HSD17B10SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL1991177 0.83 HSD17B10 (0.45) HSD17B10SMN1; SMN2ALDH1A1HPGDCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-02 — — EP disclosed
WO-2022066734-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2022-03-31 — — WO disclosed
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