SCHEMBL11088904

SCHEMBL11088904

N#CCCn1c(=S)sc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 3/20 0.45
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
CTNNB1 P35222 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL11084690 0.83 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL6547890 0.78 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL11782096 0.78 DRD2 (0.48) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL8030664 0.75 DRD2 (0.52) ALDH1A1HPGDDRD2SLC6A4SLC6A3
SCHEMBL14136137 0.75 DRD2 (0.52) ALDH1A1HPGDDRD2SLC6A4SLC6A3
SCHEMBL14093917 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL8079249 0.74 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL3393854 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL513869 0.74 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EDRD2SLC6A4
SCHEMBL27855470 0.73 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EDRD2SLC6A4

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
US-4447618-A PLANT GROWTH REGULATOR FOR LEGUMES MONSANTO COMPANY (US) 1984-05-08 US disclosed