SCHEMBL7353452

SCHEMBL7353452

C=CCNC(=O)OSc1nnnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.50
▸ POLB P06746 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL7347227 0.81 ALDH1A1 (0.52) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7346638 0.77 ALDH1A1 (0.57) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7346112 0.70 ALDH1A1 (0.54) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7353780 0.70 ALDH1A1 (0.47) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL4414411 0.69 ALDH1A1 (0.61) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL10951363 0.69 ALDH1A1 (0.67) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL9636234 0.68 ALDH1A1 (0.58) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL8827915 0.68 POLB (0.74) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL3748699 0.68 ALDH1A1 (0.65) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL8188675 0.68 ALDH1A1 (0.72) ALDH1A1POLBMAPTMEN1KMT2A

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
US-5539123-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND RESPIRATORY SYSTEM DISORDERS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1996-07-23 — — US claimed
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