SCHEMBL9011990

SCHEMBL9011990

CNc1ccccc1C[S+]([O-])c1nc(C)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
ADORA2A P29274 3/20 0.31
ADORA1 P30542 3/20 0.31

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
SCHEMBL9012162 0.77 TAAR1 (0.35) ARATP4AATP4B
SCHEMBL9011928 0.75 AR (0.34) ARATP4AATP4B
SCHEMBL6476005 0.75 ATP4A (0.52) ATP4AATP4B
Water SCHEMBL6481932 0.74 ATP4A (0.51) ATP4AATP4B
SCHEMBL9011936 0.71 ATP4A (0.33) ARATP4AATP4B
SCHEMBL9693721 0.71 PDE5A (0.42) ATP4AATP4B
SCHEMBL9011940 0.69 POLB (0.40) ARATP4AATP4B
SCHEMBL9011902 0.67 AR (0.36) AR
SCHEMBL10721669 0.66 CSNK1A1 (0.39) ARATP4AATP4B
SCHEMBL8668472 0.65 AR (0.32) ARATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523317-A ADMINISTERING IMIDAZOLE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1996-06-04 US disclosed
EP-0633026-A1 Use of imidazole derivative for antihypertensive agent NIPPON CHEMIPHAR CO., LTD. (JP) 1995-01-11 EP disclosed
US-5082943-A Antiulcer NIPPON CHEMIPHAR CO., LTD. (JP) 1992-01-21 US disclosed