SCHEMBL14964366

SCHEMBL14964366

CS(=O)(=O)NCc1nonc1C(=N)N(O)c1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.44
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36

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
SCHEMBL14964327 0.90 IDO1 (0.42) IDO1
SCHEMBL16435125 0.90 IDO1 (0.44) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL14964253 0.82 IDO1 (0.47) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL14462461 0.82 IDO1 (0.45) IDO1CYP3A4CYP2C9TDO2IDO2
SCHEMBL14964191 0.81 IDO1 (0.40) IDO1
SCHEMBL14964369 0.80 ALDH1A1 (0.36) IDO1CYP3A4CYP2C9TDO2
SCHEMBL14964275 0.79 IDO1 (0.32) IDO1
SCHEMBL5632714 0.79 ALDH1A1 (0.38)
SCHEMBL4971385 0.79 ALDH1A1 (0.38) IDO1CYP3A4CYP2C9TDO2
SCHEMBL14964354 0.78 ALDH1A1 (0.39) IDO1CYP3A4CYP2C9TDO2

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-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed