SCHEMBL3294680

SCHEMBL3294680

CC(O)Nc1nc(Nc2ccccc2)nc(NC(C)O)n1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.73
CTSK P43235 1/20 0.58
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29763393 0.91 KCNH3 (0.61) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL30568835 0.85 KCNH3 (1.00) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL29763441 0.82 KCNH3 (0.51) KCNH3CTSKKDM4E
SCHEMBL3300130 0.81 KCNH3 (0.62) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL633400 0.79 MEN1 (0.77) KCNH3MEN1MAPTKMT2AGAA
SCHEMBL11618474 0.78 KCNH3 (0.46) KCNH3CTSK
SCHEMBL28898745 0.77 KCNH3 (0.83) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL30568861 0.77 KCNH3 (0.83) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL1924308 0.77 KCNH3 (0.83) KCNH3CTSKMEN1MAPTKMT2A
SCHEMBL23786202 0.77 KCNH3 (0.67) KCNH3CTSKMEN1MAPTKMT2A

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-7741390-B2 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2010-06-22 US disclosed
US-20090131564-A1 COORDINATION-POLYMERIC TRIETHANOLAMINEPERCHLORATO(TRIFLATO)METAL INNER COMPLEXES AS ADDITIVES FOR SYNTHETIC POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090105387-A1 Coordination-polymeric triethanolamineperchlorato(triflato)metal inner complexes as additives for synthetic polymers ARTEMIS RESEARCH GMBH & CO. KG (DE) 2009-04-23 US disclosed