SCHEMBL27554379

SCHEMBL27554379

COC(=O)C(C)(C)Cc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NOX1 Q9Y5S8 5/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
SNCA P37840 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL1926729 0.84 MAPT (0.62) MAPTNOX1GAAMEN1KMT2A
SCHEMBL4033770 0.82 MAPT (0.43) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1927266 0.81 NOX1 (0.46) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1928277 0.80 NOX1 (0.46) MAPTNOX1GAAMEN1KMT2A
SCHEMBL2340074 0.79 NOX1 (0.43) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1928640 0.79 NOX1 (0.39) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1927420 0.78 PARP1 (0.49) MAPTNOX1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1927596 0.78 NOX1 (0.42) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1926716 0.78 NOX1 (0.43) MAPTNOX1GAAMEN1KMT2A
SCHEMBL1928352 0.78 DRD4 (0.42) MAPTNOX1GAAMEN1KMT2A

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
CN-1284777-C 5-membered heterocycles, preparation and use thereof as medicine SOD CONSEILS RECH APPLIC (FR) 2006-11-15 CN disclosed
CN-1535267-A 5-membered heterocycles, preparation and use thereof as medicine ��ѧ�о���Ӧ����ѯ��˾ 2004-10-06 CN disclosed