SCHEMBL6686868

SCHEMBL6686868

O=[N+]([O-])c1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.74
▸ NPC1 O15118 9/20 0.74
▸ SMN1; SMN2 Q16637 6/20 0.74
▸ MAPT P10636 7/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ ELANE P08246 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ MCL1 Q07820 1/20 0.60
▸ ATM Q13315 1/20 0.60
▸ MMP2 P08253 2/20 0.58
▸ MMP9 P14780 2/20 0.58
▸ MMP8 P22894 2/20 0.58
▸ MMP13 P45452 2/20 0.58
▸ HSPD1 P10809 1/20 0.55
▸ PTPN2 P17706 1/20 0.55
▸ PTPN1 P18031 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ HSPE1 P61604 1/20 0.55

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
SCHEMBL7921287 0.89 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2491306 0.87 MMP2 (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2243126 0.85 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL30002727 0.85 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6682494 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4508204 0.85 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4512191 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL28686681 0.85 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29531637 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL13767161 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 — — WO disclosed
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 — — WO disclosed
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