SCHEMBL27788948

SCHEMBL27788948

Cc1cc(C)cc(NC(=S)S)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL15484245 0.80 MAPT (0.75) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL15478107 0.78 GAA (0.59) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL7720239 0.78 MAPT (0.59) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL10785142 0.76 MAPT (0.47) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL9192272 0.76 CYP1A2 (0.55) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL7720238 0.76 NPSR1 (0.52) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL1881297 0.76 CYP1A2 (0.64) GAAMAPTALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL11782095 0.74 CYP1A2 (0.53) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL28271222 0.74 MAPT (0.67) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL28014058 0.74 MAPT (0.45) GAAMAPTALDH1A1MEN1KMT2A

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-101808726-A Molecular recognition material and method for producing same UNIV KEIO 2010-08-18 CN disclosed