SCHEMBL28801535

SCHEMBL28801535

COC(=O)c1nc(-c2ccccc2)sc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.66
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 1/20 0.61
TRPM8 Q7Z2W7 2/20 0.58
GAA P10253 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
GRM6 O15303 1/20 0.50
GRM5 P41594 1/20 0.50
LMNA P02545 1/20 0.48
PRKCZ Q05513 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
PKM P14618 1/20 0.45
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45

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
SCHEMBL28593231 0.85 CYP1A2 (0.52) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1192529 0.84 CDC7 (0.61) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL18055899 0.84 L3MBTL1 (0.48) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3497038 0.82 SMN1; SMN2 (0.51) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7455571 0.82 ALDH1A1 (0.60) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL14059455 0.81 TBK1 (0.50) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1726531 0.79 TRPM8 (0.71) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL28816710 0.78 L3MBTL1 (0.61) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL496802 0.76 ALDH1A1 (1.00) L3MBTL1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5195843 0.75 PTGDR2 (0.52) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947292-A nitrogen-containing heteroaryl compounds HOFFMANN LA ROCHE 2013-02-27 CN disclosed