SCHEMBL5490793

SCHEMBL5490793

O=C(O)c1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.53
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
PIK3CA P42336 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
AKT1 P31749 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL4155127 0.88 KMO (0.42) KMOKDM4ETP53TSHRMEN1
SCHEMBL3121609 0.87 PIK3CA (0.44) KMOKDM4EMEN1KMT2AALDH1A1
SCHEMBL3100542 0.87 KDM4E (0.49) KMOKDM4ETP53TSHRMEN1
SCHEMBL4159923 0.82 KMO (0.45) KMOKDM4ETP53TSHRMEN1
SCHEMBL4151416 0.81 KMO (0.43) KMOKDM4ETP53TSHRMEN1
SCHEMBL11929838 0.80 KMT2A (0.55) TSHRKMT2APOLBHTTPKM
SCHEMBL3111849 0.80 SYK (0.45) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL2073711 0.80 CYP1A2 (0.54) KDM4ETP53TSHRKMT2AALDH1A1
SCHEMBL3106043 0.80 KMO (0.46) KMOKDM4ETP53TSHRMEN1
SCHEMBL3100746 0.79 TYK2 (0.67) KMOKDM4EALDH1A1PIK3CAHTT

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