SCHEMBL7372964

SCHEMBL7372964

COc1cc(SC)ccc1-c1nc(-c2cccnc2)c(CO)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
CYP17A1 P05093 4/20 0.39
CYP3A4 P08684 3/20 0.39
TEK Q02763 2/20 0.39
PDE10A Q9Y233 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL7369293 0.87 CYP3A4 (0.52) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7377111 0.85 NPY5R (0.54) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7375472 0.79 TUBB4A (0.47) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7370913 0.71 NPY5R (0.57) CYP11B1CYP11B2CYP17A1CYP3A4CYP1A1
SCHEMBL10564760 0.71 TUBB4A (0.45) CYP11B1CYP11B2TEKPDE10ATUBB4A
SCHEMBL7271721 0.71 PDE5A (0.53) TEKAAK1
SCHEMBL10518202 0.71 PDE5A (0.65) TEK
SCHEMBL7372225 0.70 NPY5R (0.62) MKNK1MKNK2CYP11B1CYP11B2CYP17A1
SCHEMBL7369602 0.70 NPY5R (0.56) MKNK1MKNK2CYP11B1CYP11B2CYP3A4
SCHEMBL2817926 0.70 CYP11B1 (0.49) CYP11B1CYP19A1NPY5RCHEK1

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