SCHEMBL6818294

SCHEMBL6818294

COC(=O)Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ LMNA P02545 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ KLF10 Q13118 1/20 0.50
▸ MAPT P10636 4/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALPL P05186 1/20 0.47
▸ HPSE Q9Y251 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45

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
SCHEMBL6818637 0.88 RAB9A (0.47) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6821049 0.84 MAPT (0.59) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6818333 0.82 NPC1 (0.69) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5465423 0.81 PDGFRB (0.53) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6818334 0.81 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL2435686 0.76 ALDH1A1 (0.55) ALDH1A1MAPTGAATSHR
SCHEMBL31170840 0.76 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL286994 0.76 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL7423042 0.74 GAA (0.51) LMNAPOLBALDH1A1MAPTGAA
SCHEMBL7426294 0.74 ALDH1A1 (0.46) RAB9ASMN1; SMN2KMT2ANPC1POLB

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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