SCHEMBL6495326

SCHEMBL6495326

Cc1nn(-c2ccc(C#N)c(F)c2)c(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.52
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
TRPV4 Q9HBA0 1/20 0.40
EGLN2 Q96KS0 1/20 0.37

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
SCHEMBL4239678 0.86 AR (0.50) ARCYP11B1CYP11B2TRPV4EGLN2
SCHEMBL9563165 0.86 AR (0.56) AR
SCHEMBL4296720 0.79 AR (0.80) AR
SCHEMBL4240991 0.78 AR (0.51) ARCYP11B1CYP11B2
SCHEMBL4240988 0.78 AR (0.51) ARCYP11B1CYP11B2
SCHEMBL4241463 0.78 AR (0.80) AR
SCHEMBL2530213 0.73 EGLN2 (0.48) CYP11B1CYP11B2TRPV4EGLN2
SCHEMBL25181380 0.73 STIM1 (0.46) ARCYP11B1CYP11B2TRPV4
SCHEMBL6497436 0.73 CTSK (0.42) ARCYP11B1CYP11B2TRPV4
SCHEMBL19120677 0.72 AR (0.44) AR

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 5 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
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP disclosed