SCHEMBL6683014

SCHEMBL6683014

COc1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.72
▸ NPC1 O15118 9/20 0.72
▸ MAPT P10636 8/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ SMN1; SMN2 Q16637 7/20 0.71
▸ LMNA P02545 1/20 0.71
▸ CASP3 P42574 1/20 0.71
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ TP53 P04637 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAOB P27338 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 0.86 RAB9A (0.82) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4508204 0.84 RAB9A (0.81) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6818506 0.82 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL30002727 0.81 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6686868 0.81 RAB9A (0.74) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL29531637 0.81 RAB9A (0.67) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4512191 0.81 RAB9A (0.67) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL28686681 0.81 RAB9A (0.70) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6682494 0.81 RAB9A (0.67) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL4510136 0.81 RAB9A (0.65) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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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