SCHEMBL6637571

SCHEMBL6637571

CCCC[AsH]c1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3ccccc3)ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
MCL1 Q07820 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
EIF4A1 P60842 1/20 0.41
CETP P11597 1/20 0.41
CEPT1 Q9Y6K0 1/20 0.41
DAGLA Q9Y4D2 1/20 0.40

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
SCHEMBL5834557 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
Butane SCHEMBL6637575 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834520 0.81 HPSE (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834189 0.81 HPSE (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5835070 0.80 HPSE (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5835040 0.79 HPSE (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834856 0.79 HPSE (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834732 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834507 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834734 0.78 RAB9A (0.66) 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
EP-1483261-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES Oxford GlycoSciences (UK) Ltd, Attn: Mary Gadsden (GB) 2004-12-08 EP disclosed
WO-2003074516-A1 PHTHALIMIDE CARBOXYLIC ACID DERIVATIVES OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-09-12 WO disclosed