SCHEMBL30416339

SCHEMBL30416339

NC(=O)CC[C@H](N)c1nc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ HPGD P15428 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ APEX1 P27695 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 2/20 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
SCHEMBL23833005 1.00 ALOX5 (0.52) ALOX5LOXL2HPGDALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL30193192 0.91 ALOX5 (0.45) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL23833148 0.80 ALOX5 (0.47) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL6912351 0.79 PKM (0.54) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL5320260 0.79 ALOX5 (0.48) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL3522245 0.77 LOXL2 (0.68) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL4884951 0.77 LOXL2 (0.55) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL7735961 0.77 LOXL2 (0.51) ALOX5LOXL2HPGDMEN1KMT2A
SCHEMBL23833139 0.75 HDAC3 (0.48) ALOX5LOXL2HPGDALDH1A1MEN1
SCHEMBL23832970 0.75 HDAC3 (0.48) ALOX5LOXL2HPGDALDH1A1MEN1

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-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 — — CN disclosed
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