SCHEMBL10463769

SCHEMBL10463769

CCOC(=O)c1nnn(-c2cccc3ccccc23)c1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ TP53 P04637 2/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SLC5A1 P13866 4/20 0.49
▸ SLC5A2 P31639 4/20 0.49
▸ HCRTR1 O43613 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ CDC25B P30305 2/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ CDC25C P30307 1/20 0.46

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
SCHEMBL10463199 0.88 TP53 (0.52) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL10463764 0.77 TP53 (0.40) ALDH1A1HSD17B10SMN1; SMN2HPGDTP53
SCHEMBL28216149 0.75 KMT2A (0.52) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL6312871 0.74 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL20604102 0.74 HTT (0.61) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL859755 0.73 CDC25B (0.52) ALDH1A1MAPTSMN1; SMN2HPGDTP53
SCHEMBL24759775 0.73 SLC5A1 (0.45) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL30142178 0.73 SLC5A1 (0.45) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL17321554 0.73 MAPK1 (0.49) ALDH1A1HSD17B10MAPTSMN1; SMN2HPGD
SCHEMBL4835948 0.73 CDC25B (0.51) ALDH1A1MAPTSMN1; SMN2HPGDTP53

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
US-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 — — US disclosed
US-4889937-A MEDICINES, PESTICIDES AND INDUSTRIAL CHEMICALS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-12-26 — — US disclosed
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