SCHEMBL9779191

SCHEMBL9779191

Cn1c2ccccc2c2c3ccccc3c(CNC(C)(CO)CO)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
GPR3 P46089 1/20 0.38
TOP2A P11388 2/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NQO2 P16083 1/20 0.35
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
NPY5R Q15761 1/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
NPC1 O15118 1/20 0.33

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
Hydrochloric Acid SCHEMBL9778928 0.99 SLC2A1 (0.47) SLC2A1GPR3TOP2AMAPTKDM4E
SCHEMBL9778979 0.88 GPR3 (0.39) SLC2A1GPR3TOP2AMAPTKDM4E
Hydrochloric Acid SCHEMBL9779214 0.87 HTT (0.38) SLC2A1GPR3TOP2AMAPTKDM4E
SCHEMBL9779073 0.82 SLC2A1 (0.43) SLC2A1GPR3MAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL9779120 0.81 SLC2A1 (0.43) SLC2A1GPR3MAPTKDM4EHPGD
SCHEMBL10349546 0.75 SLC2A1 (0.63) SLC2A1MAPTKDM4EHPGDKMT2A
SCHEMBL10484510 0.74 SLC2A1 (0.52) SLC2A1KDM4EHPGDALDH1A1LMNA
SCHEMBL10545553 0.74 SLC2A1 (0.55) SLC2A1MAPTKDM4EHPGDKMT2A
SCHEMBL9539120 0.73 SLC2A1 (0.39) SLC2A1MAPTKDM4EHPGDKMT2A
SCHEMBL9466773 0.73 SLC2A1 (0.48) SLC2A1HPGDKMT2AMEN1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed