SCHEMBL7370838

SCHEMBL7370838

COc1cc(C)ccc1-c1nc(C)c(-c2cccnc2)n1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PDE10A Q9Y233 6/20 0.43
PDE2A O00408 4/20 0.43
PDE5A O76074 4/20 0.43
PDE11A Q9HCR9 4/20 0.43
PDE4A P27815 1/20 0.43
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
CYP17A1 P05093 4/20 0.43
CYP19A1 P11511 2/20 0.43
CYP3A4 P08684 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41

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
SCHEMBL7370568 0.90 CYP3A4 (0.55) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7372122 0.89 CYP11B1 (0.46) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7370764 0.88 KDM4E (0.48) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7373136 0.87 POLB (0.51) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7372273 0.87 MKNK1 (0.43) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7366043 0.86 CYP11B1 (0.44) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7371256 0.85 MKNK1 (0.42) MKNK1MKNK2PDE10APDE2APDE5A
SCHEMBL7371552 0.85 CYP11B1 (0.49) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7368423 0.84 CYP19A1 (0.50) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL7369440 0.84 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