SCHEMBL7371256

SCHEMBL7371256

COc1cc([S+](C)[O-])ccc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PDE10A Q9Y233 6/20 0.39
PDE2A O00408 4/20 0.39
PDE5A O76074 4/20 0.39
PDE11A Q9HCR9 4/20 0.39
PDE4A P27815 1/20 0.39
CYP3A4 P08684 4/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
CYP17A1 P05093 4/20 0.38
CYP19A1 P11511 3/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL7370838 0.85 MKNK1 (0.46) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7370568 0.84 CYP3A4 (0.55) MKNK1MKNK2CYP3A4CYP1A1CYP1A2
SCHEMBL7372122 0.83 CYP11B1 (0.46) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7370764 0.82 KDM4E (0.48) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7373136 0.81 POLB (0.51) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7372273 0.81 MKNK1 (0.43) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7368423 0.81 CYP19A1 (0.50) MKNK1MKNK2CYP3A4CYP1A1CYP1A2
SCHEMBL7371552 0.80 CYP11B1 (0.49) MKNK1MKNK2CYP3A4CYP1A1CYP1A2
SCHEMBL7366043 0.79 CYP11B1 (0.44) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7369440 0.78 CYP11B1 (0.45) MKNK1MKNK2PDE10APDE2APDE5A

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-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed