SCHEMBL14964245

SCHEMBL14964245

N=C(c1nonc1Cn1cnnc1N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL14964196 0.85 IDO1 (0.32) IDO1TDO2
SCHEMBL15093281 0.84 IDO1 (0.33) IDO1TDO2SMN1; SMN2
SCHEMBL14964294 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL14462390 0.82 CYP1A2 (0.39) IDO1TDO2MEN1USP2KMT2A
SCHEMBL14964339 0.81 MAPK1 (0.32) IDO1TDO2SMN1; SMN2
SCHEMBL14964328 0.81 IDO1 (0.37) IDO1TDO2SMN1; SMN2
SCHEMBL14964338 0.79 IDO1 (0.35) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL4984072 0.79 IDO1 (0.36) IDO1
SCHEMBL14964193 0.79 ALDH1A1 (0.31) IDO1TDO2
SCHEMBL14964315 0.79 IDO1 (0.32) IDO1TDO2

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