SCHEMBL8665904

SCHEMBL8665904

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SHMT2 P34897 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL8665996 0.92 POLB (0.38) POLBKMT2AMEN1CA12CA1
SCHEMBL8667289 0.88 ALDH1A1 (0.40) POLBL3MBTL1KMT2AMEN1TAS1R3
SCHEMBL8666644 0.87 LMNA (0.43) POLBL3MBTL1KMT2AMEN1TAS1R3
SCHEMBL8669042 0.86 ALDH1A1 (0.34) POLBKMT2AHTT
SCHEMBL8670553 0.85 ALDH1A1 (0.38) POLBL3MBTL1KMT2AMEN1TAS1R3
SCHEMBL8670484 0.83 KCNK3 (0.41) POLBKMT2AHDAC3HDAC1HDAC2
SCHEMBL8668472 0.80 AR (0.32) POLBL3MBTL1MAPTUSP2
SCHEMBL8669025 0.79 PTGS1 (0.35) POLBL3MBTL1
SCHEMBL8666674 0.77
SCHEMBL8670754 0.73 MAPT (0.44) POLBL3MBTL1KMT2AMEN1CA12

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed