SCHEMBL11243145

SCHEMBL11243145

CCOC(=N)CCSCc1csc(NC(=N)N)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10539430 0.89 HRH2 (0.37) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL10587291 0.84 HRH2 (0.39) GAAALDH1A1LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL11236238 0.83 HRH2 (0.39) GAAALDH1A1LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL10439042 0.83 HRH2 (0.39) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL10744734 0.82 ABL1 (0.42) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL9817424 0.82 HRH2 (0.40) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL11251661 0.81 GAA (0.44) GAAALDH1A1LMNATSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL10586317 0.81 HRH2 (0.37) GAALMNATSHRSMN1; SMN2KMT2A
SCHEMBL8487525 0.80 AOC3 (0.39) GAAALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL11249705 0.80 HRH2 (0.44) GAALMNATSHRSMN1; SMN2KMT2A

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-4362736-A ANTISECRETORY AGENTS, GASTRIC JUICE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1982-12-07 US disclosed