SCHEMBL8665996

SCHEMBL8665996

CCNC(=O)Nc1ccccc1C[S+]([O-])C1=NC(=S)C(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ABL1 P00519 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL8665904 0.92 POLB (0.44) POLBKMT2AMEN1MAPTTAS1R3
SCHEMBL8667289 0.90 ALDH1A1 (0.40) POLBGAAKMT2AMEN1MAPT
SCHEMBL8666644 0.89 LMNA (0.43) POLBKMT2AMEN1TAS1R3TAS1R1
SCHEMBL8669042 0.87 ALDH1A1 (0.34) POLBGAAKMT2AHTTALDH1A1
SCHEMBL8670553 0.87 ALDH1A1 (0.38) POLBKMT2AMEN1MAPTTAS1R3
SCHEMBL8670484 0.84 KCNK3 (0.41) POLBKMT2AMAPT
SCHEMBL8667078 0.82 SLC29A1 (0.37) POLBALDH1A1
SCHEMBL8668472 0.81 AR (0.32) POLBMAPTALDH1A1
SCHEMBL8665811 0.80 PSIP1 (0.36) POLBMAPTALDH1A1
SCHEMBL8669025 0.79 PTGS1 (0.35) POLBALDH1A1

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed