SCHEMBL28259441

SCHEMBL28259441

CCc1cccc(NC(=S)NCCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.72
NPC1 O15118 2/20 0.72
MAOA P21397 1/20 0.72
MAOB P27338 1/20 0.72
MAPT P10636 7/20 0.71
LMNA P02545 6/20 0.71
ALDH1A1 P00352 5/20 0.71
KMT2A Q03164 6/20 0.65
MEN1 O00255 4/20 0.65
GAA P10253 3/20 0.65
MAPK1 P28482 2/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
ALOX12 P18054 3/20 0.63
HPGD P15428 2/20 0.63
THRB P10828 1/20 0.63
BCL6 P41182 1/20 0.59
HTT P42858 1/20 0.58
KDM4E B2RXH2 1/20 0.56
PTPN7 P35236 1/20 0.56
DUSP3 P51452 1/20 0.56

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
SCHEMBL1520437 0.85 RAB9A (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259757 0.84 LMNA (0.62) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL9453991 0.83 GAA (0.70) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL6965791 0.83 LMNA (0.74) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259456 0.83 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259440 0.83 ALDH1A1 (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28866630 0.83 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28257891 0.82 RAB9A (0.67) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259754 0.82 RAB9A (0.67) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28866499 0.80 MAPT (0.76) RAB9ANPC1MAOAMAOBMAPT

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-108863876-A A kind of thiourea and preparation method and application with gibberellin function 中国农业大学 2018-11-23 CN disclosed