SCHEMBL6869892

SCHEMBL6869892

N#Cc1ccc(S(=O)(=O)C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 10/20 0.54
ALDH1A1 P00352 1/20 0.47
TRPV4 Q9HBA0 2/20 0.46
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
ESPL1 Q14674 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
STAT3 P40763 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

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
SCHEMBL28069902 0.86 EPAS1 (0.56) EPAS1ALDH1A1ESPL1SLC22A12
SCHEMBL31729379 0.79 TRPV4 (0.48) EPAS1TRPV4CYP11B1CYP11B2SLC22A12
SCHEMBL23579849 0.79 CA2 (0.56) ALDH1A1TRPV4CA1CA2
SCHEMBL1156122 0.79 TRPV4 (0.48) EPAS1TRPV4CYP11B1CYP11B2SLC22A12
SCHEMBL2888292 0.79 EPAS1 (0.51) EPAS1TRPV4CYP11B1CYP11B2SLC22A12
SCHEMBL2789258 0.78 ALDH1A1 (0.64) EPAS1ALDH1A1ESPL1CA1CA2
SCHEMBL3299113 0.73 SLC22A12 (0.45) EPAS1TRPV4SLC22A12
SCHEMBL2789621 0.73 EPAS1 (0.46) EPAS1ALDH1A1
SCHEMBL29217918 0.73 ALDH1A1 (0.52) EPAS1ALDH1A1ESPL1
SCHEMBL2325842 0.72 CA1 (0.50) EPAS1ALDH1A1TRPV4CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
US-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US disclosed
EP-0354434-A2 Process for the preparation of rod-like compounds MERCK PATENT GmbH (DE) 1990-02-14 EP disclosed