SCHEMBL9213320

SCHEMBL9213320

CCCCc1[nH]c2ccccc2c1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MMP2 P08253 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 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
SCHEMBL28132573 0.78 DRD2 (0.43) DRD2HTR2AHTR2CMMP2ALDH1A1
SCHEMBL28987813 0.78 MEN1 (0.52) HTR2AHTR2CALDH1A1MEN1KMT2A
SCHEMBL28254239 0.75 CTSV (0.51) DRD2HTR2AHTR2CMMP2ALDH1A1
SCHEMBL8723074 0.74 IMPDH2 (0.54) DRD2HTR2AHTR2CALDH1A1MEN1
SCHEMBL10082865 0.72 RAB9A (0.57) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL28987798 0.72 CHRNB2 (0.58) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL14972698 0.72 TDO2 (0.46) DRD2HTR2AHTR2CMMP2ALDH1A1
SCHEMBL6255563 0.71 KDM4E (0.52) ALDH1A1KDM4EHSD17B10HPGDGABRP
SCHEMBL28674730 0.70 CHRNB2 (0.59) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL28253382 0.70 ESR1 (0.62) DRD2HTR2AHTR2CALDH1A1MEN1

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
EP-0637301-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-08 EP disclosed