SCHEMBL25050322

SCHEMBL25050322

CN(C)C(=N)NC(=N)NC(=S)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.51
TAS2R38 P59533 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL14868330 0.84 TAS2R38 (0.41) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
Hydrochloric Acid SCHEMBL28219362 0.83 TAS2R38 (0.39) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL25049852 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4GAAKMT2AMEN1
SCHEMBL2001630 0.77 TAS2R38 (0.46) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL11689139 0.76 EPHX1 (0.58) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL11763947 0.75 EPHX1 (0.67) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL730314 0.74 ALDH1A1 (0.80) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL4097497 0.73 EPHX1 (0.54) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL11136394 0.73 LMNA (0.53) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4
SCHEMBL3421577 0.72 ALDH1A1 (0.63) EPHX1TAS2R38ALDH1A1HSD17B10CYP3A4

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
WO-2023017400-A1 METFORMIN CONJUGATES AND THERAPEUTIC USE THEREOF UNIVERSITA' DI PISA (IT) 2023-02-16 WO disclosed