SCHEMBL9695352

SCHEMBL9695352

CC(C)CN(C)c1ccccc1C[S+]([O-])c1nc2ncccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.38
PDE4A P27815 4/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
AURKA O14965 3/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NUDT1 P36639 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CYP2C9 P11712 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL9695009 0.88 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6481805 0.87 AURKA (0.41) PDE5APDE4APDE4BPDE4CPDE4D
Leminoprazole SCHEMBL143739 0.85 ATP4A (0.39) ALDH1A1NPC1RAB9ABACE1SMN1; SMN2
Leminoprazole SCHEMBL29895760 0.85 ATP4A (0.39) ALDH1A1NPC1RAB9ABACE1SMN1; SMN2
Leminoprazole SCHEMBL143740 0.85 ATP4A (0.39) ALDH1A1NPC1RAB9ABACE1SMN1; SMN2
Leminoprazole SCHEMBL19086179 0.84 ATP4A (0.38) ALDH1A1NPC1RAB9ABACE1SMN1; SMN2
SCHEMBL9695897 0.83 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL13999615 0.79 TAAR1 (0.36) HPGDALDH1A1NPC1RAB9ABACE1
SCHEMBL9694993 0.78 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9694957 0.77 NUDT1 (0.48) PDE5APDE4APDE4BPDE4CPDE4D

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-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US claimed
US-5106976-A Antisecretory agents NIPPON CHEMIPHAR CO., LTD. (JP) 1992-04-21 US disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed