SCHEMBL5491933

SCHEMBL5491933

O=C(O)c1cc(OCCN2CCOCC2)ncn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.60
KDM4E B2RXH2 4/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL5490055 0.84 KMO (0.45) KMOKDM4ETP53TSHRMEN1
SCHEMBL4159940 0.81 CASP7 (0.48) KMOKDM4ETP53TSHRMEN1
SCHEMBL3205812 0.81 KDM4E (0.52) KMOKDM4ETP53TSHRALDH1A1
SCHEMBL3106043 0.80 KMO (0.46) KMOKDM4ETP53TSHRMEN1
SCHEMBL15003880 0.78 NPC1 (0.46) KDM4ETSHRALDH1A1POLBNPC1
SCHEMBL14742285 0.76 KMO (1.00) KMOALDH1A1MAPTHTT
SCHEMBL14758367 0.76 KMO (1.00) KMOTSHRALDH1A1MAPTHTT
SCHEMBL3114681 0.75 AKT1 (0.45) KMOKMT2AALDH1A1POLBHTT
Hydrochloric Acid SCHEMBL18628102 0.75 KMO (0.98) KMOTSHRALDH1A1MAPTHTT
SCHEMBL4167841 0.74 CYP1A2 (0.52) KMOKDM4ETP53TSHRMEN1

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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed