SCHEMBL6681494

SCHEMBL6681494

O=[N+]([O-])c1cccc(-c2nc3ccc(F)cc3o2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.66
▸ NPC1 O15118 11/20 0.66
▸ SMN1; SMN2 Q16637 6/20 0.66
▸ MAPT P10636 6/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ LMNA P02545 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ ELANE P08246 1/20 0.57
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ MMP13 P45452 2/20 0.53
▸ GABRP O00591 1/20 0.52
▸ GABRD O14764 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ GABRB1 P18505 1/20 0.52
▸ GABRG2 P18507 1/20 0.52

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
SCHEMBL6682494 0.90 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29531637 0.90 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3137128 0.89 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4053590 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2491306 0.84 MMP2 (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4056629 0.83 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3962448 0.81 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7921287 0.81 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4052337 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2246143 0.80 RAB9A (1.00) 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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