SCHEMBL6822188

SCHEMBL6822188

COC(=O)Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 5/20 0.51
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ GAA P10253 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ PABPC1 P11940 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ PTPN5 P54829 1/20 0.46
▸ PTPN11 Q06124 1/20 0.46
▸ EIF4H Q15056 1/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ PKM P14618 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL6818426 0.88 KMT2A (0.56) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6821342 0.88 KCNMA1 (0.56) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6821049 0.84 MAPT (0.59) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6818333 0.81 NPC1 (0.69) MEN1KMT2ASMN1; SMN2PABPC1DUSP3
SCHEMBL6818334 0.80 ALDH1A1 (0.52) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6818637 0.79 RAB9A (0.47) MEN1KMT2AGAASMN1; SMN2PABPC1
SCHEMBL6824666 0.79 MAPT (0.56) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL25433021 0.75 RORC (0.60) KCNMA1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5834919 0.74 MEN1 (0.63) KCNMA1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6818294 0.74 RAB9A (0.53) MEN1KMT2AGAASMN1; SMN2PABPC1

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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