SCHEMBL28259448

SCHEMBL28259448

COc1cccc(CCNC(=S)Nc2cccc(Br)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.61
POLB P06746 1/20 0.59
MAPT P10636 7/20 0.57
GAA P10253 4/20 0.57
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX12 P18054 2/20 0.55
ALPL P05186 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL28259453 0.88 POLB (0.68) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28259757 0.87 LMNA (0.62) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28259436 0.86 LMNA (0.71) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28257853 0.86 LMNA (0.61) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28411219 0.86 CNR1 (0.69) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL28257889 0.86 LMNA (0.61) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28257851 0.84 MAPT (0.61) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28259650 0.84 LMNA (0.58) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28866630 0.83 RAB9A (0.72) LMNAPOLBMAPTGAAALDH1A1
SCHEMBL28259445 0.83 LMNA (0.64) LMNAPOLBMAPTGAAALDH1A1

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