SCHEMBL10560331

SCHEMBL10560331

C#CCc1c(C)nc2c(OCc3c(CO)cccc3CO)cccn12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP2C19 P33261 1/20 0.51
GUCY1B2 O75343 6/20 0.43
GUCY1A2 P33402 6/20 0.43
GUCY1A1 Q02108 6/20 0.43
GUCY1B1 Q02153 6/20 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
Hydrochloric Acid SCHEMBL10565262 0.99 ATP4A (0.55) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10561303 0.95 CYP1A2 (0.56) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10558977 0.90 ATP4A (0.60) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746953 0.87 CYP3A4 (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746183 0.86 CYP1A2 (0.57) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9747216 0.85 ATP4A (0.57) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10562292 0.85 ATP4A (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL9746894 0.84 ATP4A (0.60) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10673605 0.83 ATP4A (0.56) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10677985 0.83 ATP4A (0.59) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831041-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US disclosed
EP-0268989-A1 Imidazopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-01 EP disclosed