SCHEMBL9695897

SCHEMBL9695897

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.40
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
PDE4D Q08499 5/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
AURKA O14965 4/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNMA1 Q12791 1/20 0.36
NUDT1 P36639 1/20 0.36

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 0.90 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6481805 0.88 AURKA (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9398029 0.83 LMNA (0.48) ALDH1A1ATMNPC1TP53HPGD
SCHEMBL9695352 0.83 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9694957 0.81 NUDT1 (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9693721 0.79 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9676077 0.77 LMNA (0.44) ALDH1A1NPC1TP53HPGDRAB9A
SCHEMBL10478366 0.77 LMNA (0.33)
SCHEMBL9695910 0.77 AURKA (0.39) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9695028 0.77 AURKA (0.39) PDE5AMETAP2METAP1ALDH1A1ATM

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 5 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
EP-0234690-B1 SULFOXIDE DERIVATIVES AND THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-05-15 EP disclosed
US-4933458-A ANTISECRETORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-06-12 US disclosed
EP-0234690-A1 Sulfoxide derivatives and their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-02 EP disclosed