Butane

Butane

SCHEMBL6637575

CCCC.O=[N+]([O-])c1ccc([AsH2])c(-c2nc3cc(-c4ccccc4)ccc3o2)c1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MAPT P10636 5/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 3/20 0.49
MMP13 P45452 3/20 0.49
MCL1 Q07820 1/20 0.49
ATM Q13315 1/20 0.49
CETP P11597 1/20 0.43
CEPT1 Q9Y6K0 1/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 5/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL5834856 0.83 HPSE (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5835040 0.83 HPSE (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834732 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834507 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834557 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834734 0.82 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6637571 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834520 0.82 HPSE (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5835156 0.81 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL5834694 0.81 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