SCHEMBL4980217

SCHEMBL4980217

N=C(c1nonc1CNCCc1ccncc1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.31
GAA P10253 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
NAMPT P43490 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
IDO1 P14902 2/20 0.31
TDO2 P48775 1/20 0.31
CCNT1 O60563 1/20 0.30
FLT1 P17948 2/20 0.30
KDR P35968 2/20 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
SCHEMBL4979731 0.86 IDO1 (0.34) MEN1MAPTKMT2ALMNAIDO1
SCHEMBL4984827 0.86 CA2 (0.44) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL14964340 0.85 SIGMAR1 (0.36) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL14964214 0.84 ALDH1A1 (0.33) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL14964279 0.83 IDO1 (0.33) IDO1TDO2
SCHEMBL14462336 0.83 MEN1 (0.45) TAAR1MEN1MAPTKMT2ALMNA
SCHEMBL14964194 0.83 SMN1; SMN2 (0.37) MEN1KMT2ALMNAKDM4ENPC1
SCHEMBL14964273 0.81 ALOX15 (0.40) MEN1MAPTKMT2ALMNACYP1A2
Trifluoroacetic Acid SCHEMBL15093526 0.81 IDO1 (0.32) MEN1MAPTKMT2ALMNACYP1A2
SCHEMBL15093527 0.80 MAPT (0.32) MEN1MAPTKMT2AIDO1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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