SCHEMBL7369709

SCHEMBL7369709

COc1c(C)csc1-c1nc(C)c(-c2cccnc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43
TUBB1 Q9H4B7 2/20 0.43
CYP2E1 P05181 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2A6 P11509 3/20 0.40

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
SCHEMBL7372687 0.87 MAPK13 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7375478 0.81 CYP11B1 (0.43) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL7366314 0.75 MAPK13 (0.54) CYP11B1CYP11B2CYP3A4KDM4ECYP2C19
SCHEMBL7369854 0.74 CYP11B1 (0.48) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL7367025 0.74 KDM4E (0.39) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL7370040 0.73 TUBB4A (0.48) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL7369410 0.72 PDE5A (0.58) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL7365284 0.72 PDGFRB (0.51) CYP11B1CYP11B2TUBB4ATUBBTUBA3C
SCHEMBL7366807 0.72 NPY5R (0.59) CYP11B1CYP11B2KDM4ENPC1MAPT
SCHEMBL13115329 0.72 CYP11B1 (0.46) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6

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