SCHEMBL9775676

SCHEMBL9775676

O=COc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A4 P31645 3/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PKM P14618 1/20 0.34
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
HPGD P15428 1/20 0.33
SCN8A Q9UQD0 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
SCHEMBL4593314 0.79 TTR (0.49) SLC6A2SLC6A3S1PR4KMT2AHPGD
SCHEMBL98914 0.79 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28746894 0.78 TTR (0.47) SLC6A2SLC6A3S1PR4KMT2AHPGD
SCHEMBL28832700 0.76 CYP3A4 (0.46) SLC6A4SMN1; SMN2POLBALDH1A1MEN1
SCHEMBL12121021 0.76 ACHE (0.43) NPC1RAB9ASMN1; SMN2POLBS1PR4
SCHEMBL10575217 0.76 PKM (0.54) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL27584712 0.76 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2POLBS1PR4
SCHEMBL27889648 0.76 MRGPRX4 (0.40) SLC6A4SMN1; SMN2POLBALDH1A1MEN1
SCHEMBL3724878 0.76 NPC1 (0.46) SLC6A2SLC6A3SLC6A4NPC1RAB9A
SCHEMBL27853319 0.76 SLC6A4 (0.44) SLC6A2SLC6A3SLC6A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030761-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-09 US disclosed
US-4881970-A Tetrahydropthalimide compounds, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-21 US disclosed
US-4452981-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-06-05 US disclosed