SCHEMBL7465633

SCHEMBL7465633

CCOC(=O)c1csc(-c2nc(C)c[nH]2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
ALDH1A1 P00352 2/20 0.55
RAB9A P51151 9/20 0.54
NPC1 O15118 7/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 3/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
CLK1 P49759 1/20 0.46
HSP90AA1 P07900 2/20 0.43
CYP19A1 P11511 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL13144514 0.82 MAPT (0.70) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL3065517 0.80 MAPT (0.54) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL7707033 0.75 HPGDS (0.38) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL1815672 0.75 MAPT (0.54) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL285573 0.75 RAB9A (0.66) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL2079627 0.74 RAB9A (0.65) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL31734505 0.74 RAB9A (0.62) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL8346668 0.74 RAB9A (0.52) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL2080725 0.73 RAB9A (0.68) MAPTALDH1A1RAB9ANPC1NPSR1
SCHEMBL12582252 0.73 RAB9A (0.72) MAPTALDH1A1RAB9ANPC1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed