SCHEMBL23368488

SCHEMBL23368488

NC(O)c1nn(CC(=O)O)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.58
▸ GLA P06280 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALOX15 P16050 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ CMA1 P23946 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41

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
SCHEMBL24093933 0.85 HSD17B10 (0.58) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL23213705 0.84 HSD17B10 (0.60) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL29845235 0.84 HSD17B10 (0.60) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL23368346 0.79 SLC22A12 (0.37) HSD17B10ALOX15HPGDALDH1A1LMNA
SCHEMBL14631512 0.76 HSD17B10 (0.67) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL3905353 0.76 HSD17B10 (0.67) HSD17B10GLAKDM4EALOX15HPGD
SCHEMBL24114242 0.76 SLC7A5 (0.40) HSD17B10GLAKDM4EHPGDALDH1A1
SCHEMBL12479559 0.76 HSD17B10 (0.61) HSD17B10GLAKDM4EALOX15ROCK1
SCHEMBL29358880 0.76 HSD17B10 (0.61) HSD17B10GLAKDM4EALOX15ROCK1
SCHEMBL3354341 0.75 HSD17B10 (0.65) HSD17B10GLAKDM4EALOX15HPGD

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-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 — — EP disclosed
EP-3411411-B1 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2021-05-19 — — EP disclosed
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