SCHEMBL28259754

SCHEMBL28259754

CC(C)c1cccc(NC(=S)NCCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
MAPT P10636 9/20 0.66
LMNA P02545 8/20 0.66
ALDH1A1 P00352 6/20 0.66
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
MAPK1 P28482 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALOX12 P18054 5/20 0.59
HPGD P15428 2/20 0.59
THRB P10828 1/20 0.59
HTT P42858 4/20 0.56
BCL6 P41182 1/20 0.55
ALPL P05186 2/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53

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
SCHEMBL28257851 0.86 MAPT (0.61) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL28259441 0.82 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL14423726 0.81 KMT2A (0.59) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL1520437 0.81 RAB9A (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259456 0.80 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL6965791 0.80 LMNA (0.74) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28866630 0.80 RAB9A (0.72) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28259440 0.80 ALDH1A1 (1.00) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28257891 0.79 RAB9A (0.67) RAB9ANPC1MAOAMAOBMAPT
SCHEMBL28257850 0.77 MAPT (0.51) MAPTLMNAALDH1A1KMT2AMEN1

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