SCHEMBL1817281

SCHEMBL1817281

CCOC(=O)c1csc(-c2c[nH]cn2)n1.NC(=S)c1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 9/20 0.45
NPC1 O15118 7/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 2/20 0.43
CLK1 P49759 1/20 0.41
EGFR P00533 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSP90AA1 P07900 2/20 0.39
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL1815672 0.90 MAPT (0.54) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL9983079 0.73 MAPT (0.49) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL13144514 0.73 MAPT (0.70) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL179565 0.73 CYP1A2 (0.50) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL1817599 0.71 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13297066 0.70 RAB9A (0.59) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL31341048 0.69 RAB9A (0.57) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL10054632 0.69 CDC7 (0.62) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL2436892 0.69 LMNA (0.62) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL31341038 0.69 LMNA (0.62) MAPTALDH1A1RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed