SCHEMBL11469586

SCHEMBL11469586

O=c1c(Cl)nsnc1Oc1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC6A4 P31645 6/20 0.34
▸ SLC6A2 P23975 5/20 0.34
▸ SLC6A3 Q01959 4/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ TEK Q02763 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL11468337 0.86 SLC6A4 (0.33) CXCL8SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL10926565 0.70 TTR (0.42) MAPTHPGDSLC6A4SLC6A2SLC6A3
SCHEMBL5950358 0.69 SLC6A2 (0.50) CXCL8KDM4EMAPK1SLC6A4SLC6A2
SCHEMBL7765702 0.67 CXCL8 (0.64) CXCL8ALDH1A1HPGDKDM4EMAPK1
SCHEMBL11552165 0.66 LMNA (0.44) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL28291119 0.63 CA1 (0.52) ALDH1A1MAPK1SLC6A4SLC6A2SLC6A3
SCHEMBL22372364 0.63 L3MBTL1 (0.47) ALDH1A1MAPTHPGDKDM4ESLC6A4
SCHEMBL194417 0.63 HRH1 (0.60) ALDH1A1HPGDSLC6A4SLC6A2SLC6A3
SCHEMBL22372361 0.62 KDM4E (0.42) ALDH1A1MAPTHPGDKDM4ESLC6A4
SCHEMBL4820216 0.62 HTR2A (0.41) ALDH1A1KDM4EMAPK1SLC6A4SLC6A2

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-4201780-A Mono-5-substituted-3-chloro-4H-1,2,6-thiadiazin-4-one antifungal agents FMC CORPORATION (US) 1980-05-06 — — US disclosed
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