SCHEMBL7011885

SCHEMBL7011885

COC(=O)CSc1cc(=O)n(C)c(=O)n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MIF P14174 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL16653274 0.80 HDAC3 (0.49) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL16663488 0.79 NPSR1 (0.43) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL8780843 0.73 MAPT (0.49) MAPTALDH1A1HSD17B10NPSR1SMN1; SMN2
SCHEMBL8314432 0.68 HSD11B1 (0.56) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL25980052 0.67 MAPT (0.62) MAPTALDH1A1HSD17B10HPGDNPSR1
SCHEMBL28143902 0.66 ALDH1A1 (0.39) MAPTMAPK1ALDH1A1HSD17B10NPSR1
SCHEMBL20693128 0.64 SMN1; SMN2 (0.41) MAPTALDH1A1HSD17B10NPSR1GAA
SCHEMBL8146166 0.63 ALDH1A1 (0.58) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL15517362 0.63 HSD17B10 (0.50) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL5278158 0.62 ANPEP (0.64) MAPTMAPK1ALDH1A1HSD17B10HPGD

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-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed