SCHEMBL4758745

SCHEMBL4758745

[AsH2]c1cccc(-c2nc3ccncc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
PTBP1 P26599 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL218887 0.82 RAB9A (0.68) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL13470765 0.81 KDM4E (0.64) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL12167514 0.79 APP (0.50) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL26833294 0.78 RAB9A (0.51) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL23458521 0.77 NPC1 (0.68) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL220051 0.77 APP (0.51) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL26535849 0.75 RAB9A (0.46) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL4759004 0.73 NPC1 (0.45) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL2740222 0.72 MAPT (0.53) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL2740073 0.72 MAPT (0.57) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed