SCHEMBL6494602

SCHEMBL6494602

CCn1c(C(F)(F)F)nn(-c2ccc(C#N)c(F)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.50
AR P10275 6/20 0.46
KDM1A O60341 2/20 0.38
DHODH Q02127 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
SCHEMBL9053571 0.82 CTSK (0.41) CTSKARDHODH
SCHEMBL9054537 0.78 DHODH (0.41) CTSKARDHODH
SCHEMBL6104442 0.77 CTSK (0.39) CTSKARDHODH
SCHEMBL9053504 0.77 CTSK (0.39) CTSKARDHODH
SCHEMBL6497436 0.73 CTSK (0.42) CTSKARKDM1A
SCHEMBL6307788 0.73 CTSK (0.36) CTSKARDHODH
SCHEMBL6310318 0.73 CTSK (0.36) CTSKARDHODH
SCHEMBL5420508 0.72 CTSK (0.47) CTSKAR
SCHEMBL6504119 0.71 CTSK (0.35) CTSKARDHODH
SCHEMBL9055831 0.71 DHODH (0.37) CTSKARDHODH

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 1 patent. 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 claimed