SCHEMBL6821049

SCHEMBL6821049

COC(=O)Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ PABPC1 P11940 1/20 0.54
▸ DUSP3 P51452 1/20 0.54
▸ PTPN5 P54829 1/20 0.54
▸ PTPN11 Q06124 1/20 0.54
▸ EIF4H Q15056 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ HPSE Q9Y251 1/20 0.52
▸ CCR5 P51681 1/20 0.50
▸ APP P05067 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47

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
SCHEMBL6818333 0.88 NPC1 (0.69) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL6818294 0.84 RAB9A (0.53) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL6818637 0.84 RAB9A (0.47) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL6818426 0.84 KMT2A (0.56) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL6822188 0.84 KCNMA1 (0.51) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL6821342 0.84 KCNMA1 (0.56) MAPTNPC1LMNAMEN1KMT2A
SCHEMBL6818334 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL7377697 0.79 RAB9A (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL521069 0.78 MAPT (0.57) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL31499386 0.77 RAB9A (0.65) MAPTRAB9ANPC1LMNAMEN1

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
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 — — WO disclosed
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