SCHEMBL22352895

SCHEMBL22352895

C[C@H]1N=C(N)NC(NCCc2ccc(O)c(O)c2)=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MAPK1 P28482 5/20 0.46
▸ HIF1A Q16665 4/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ THPO P40225 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ KDM4E B2RXH2 7/20 0.44
▸ LMNA P02545 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ BLM P54132 3/20 0.44
▸ GFER P55789 3/20 0.44
▸ PMP22 Q01453 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GMNN O75496 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14870034 1.00 MAPT (0.46) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14869800 1.00 MAPT (0.46) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14872470 0.90 MAPT (0.46) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14869968 0.87 ALPG (0.46) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14869985 0.86 MAPT (0.50) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL15101650 0.83 MAPT (0.42) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14870279 0.83 MAPT (0.42) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14869974 0.83 MAPT (0.43) MAPTHSD17B10MAPK1HIF1AALOX15
SCHEMBL14870255 0.82 SIGMAR1 (0.43) HTR1ATAAR1HTR2AHTR3ASIGMAR1
SCHEMBL14870275 0.81 TAAR1 (0.41) HSD17B10MAPK1TSHRLMNASMN1; SMN2

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-2800561-B1 BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS ANJI PHARMA US LLC (US) 2020-08-19 — — EP disclosed
Send feedback