SCHEMBL4985579

SCHEMBL4985579

N=C(c1nonc1CNCc1ccc(S(N)(=O)=O)cc1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA2 P00918 10/20 0.39
SOS1 Q07889 2/20 0.38
CA1 P00915 9/20 0.37
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
CA4 P22748 3/20 0.37
IDO1 P14902 1/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.35
MAP3K8 P41279 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4984827 0.92 CA2 (0.44) MEN1KMT2ACA2CA1CA12
SCHEMBL14964194 0.86 SMN1; SMN2 (0.37) MEN1KMT2AIDO1ALDH1A1SMN1; SMN2
SCHEMBL14462765 0.84 MEN1 (0.56) MEN1KMT2ACA2SOS1CA1
SCHEMBL14964314 0.83 CA2 (0.54) MEN1KMT2ACA2SOS1CA1
SCHEMBL4979731 0.80 IDO1 (0.34) MEN1KMT2AIDO1HTTALDH1A1
SCHEMBL4971385 0.80 ALDH1A1 (0.38) MEN1KMT2AIDO1HTTTSHR
SCHEMBL5632261 0.80 MEN1 (0.55) MEN1KMT2ACA2SOS1CA1
SCHEMBL5632268 0.80 MEN1 (0.55) MEN1KMT2ACA2SOS1CA1
SCHEMBL14964354 0.79 ALDH1A1 (0.39) MEN1KMT2AIDO1HTTALDH1A1
SCHEMBL14964279 0.79 IDO1 (0.33) IDO1

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 3 patents. 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
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO claimed