SCHEMBL6497436

SCHEMBL6497436

Cc1nn(-c2ccc(C#N)c(F)c2)c(=O)n1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
AR P10275 6/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
KCNJ1 P48048 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
KDM1A O60341 4/20 0.37
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL2530113 0.78 L3MBTL1 (0.41) CTSKARCYP11B2
SCHEMBL1134186 0.74 AR (0.45) ARPOLB
SCHEMBL2530213 0.73 EGLN2 (0.48) CYP11B1CYP11B2TRPV4
SCHEMBL6495326 0.73 AR (0.52) ARCYP11B1CYP11B2TRPV4
SCHEMBL6494602 0.73 CTSK (0.50) CTSKARKDM1A
SCHEMBL4239678 0.71 AR (0.50) ARCYP11B1CYP11B2TRPV4
SCHEMBL9563165 0.71 AR (0.56) ARPOLB
SCHEMBL25181380 0.70 STIM1 (0.46) ARCYP11B1CYP11B2TRPV4
SCHEMBL5420508 0.70 CTSK (0.47) CTSKARCYP11B2
SCHEMBL31098399 0.69 EGLN2 (0.35) KCNJ1KDM1AADORA2A

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-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
EP-0597360-B1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 2001-10-17 EP disclosed
EP-0597360-A1 Substituted N-phenyl-triazolin (thi)ones, processes and intermediates for their production and their use as herbicides, insecticides and acaricides BAYER AG (DE) 1994-05-18 EP disclosed