SCHEMBL14964242

SCHEMBL14964242

Cc1nc(S(=O)(=O)NCc2nonc2C(=N)N(O)c2ccc(F)c(Cl)c2)cn1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.32
IDO1 P14902 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP3 Q96P20 1/20 0.31
F2 P00734 2/20 0.31
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
SLC8A1 P32418 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
SCHEMBL14964205 0.88 GAA (0.41) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL15100415 0.85 MAOA (0.37) LMNAMAPTMEN1KMT2APOLB
SCHEMBL14964311 0.82 PROKR1 (0.37) LMNATP53MAPTHTTMEN1
SCHEMBL4971385 0.82 ALDH1A1 (0.38) ALDH1A1LMNAIDO1TP53MAPT
SCHEMBL5630989 0.81 MAOA (0.36) LMNAIDO1MAPTMEN1KMT2A
SCHEMBL14964367 0.81 TP53 (0.35) ALDH1A1LMNAIDO1TP53MAPT
SCHEMBL5630982 0.81 MAOA (0.36) LMNAIDO1MAPTMEN1KMT2A
SCHEMBL14964280 0.81 MAPT (0.46) ALDH1A1LMNATP53MAPTHTT
SCHEMBL14964354 0.81 ALDH1A1 (0.39) ALDH1A1LMNAIDO1TP53MAPT
SCHEMBL14964369 0.80 ALDH1A1 (0.36) ALDH1A1LMNAIDO1TP53MAPT

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