SCHEMBL3295993

SCHEMBL3295993

OCCCNc1nc(NCCCO)nc(NCCCO)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.60
KMT2A Q03164 3/20 0.50
SLC29A1 Q99808 1/20 0.47
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
NUDT1 P36639 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6641584 0.92 KCNH3 (0.61) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL6641480 0.90 KCNH3 (0.65) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL6644498 0.90 KCNH3 (0.65) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL6641730 0.89 KCNH3 (0.51) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL9357110 0.84 KMT2A (0.61) KCNH3KMT2ASLC29A1CA12CA1
SCHEMBL8466255 0.84 KCNH3 (0.47) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL5490730 0.84 KCNH3 (0.47) KCNH3KMT2ASLC29A1MEN1GAA
SCHEMBL6638595 0.84 NUDT1 (0.49) KCNH3KMT2ASLC29A1MEN1GAA
SCHEMBL1032510 0.82 KMT2A (0.60) KCNH3KMT2ASLC29A1RECQLMCL1
SCHEMBL21325585 0.82 KCNH3 (0.53) KCNH3KMT2ASLC29A1RECQLMCL1

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 7 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
US-7201950-B2 Optical compensatory sheet, elliptical polarizing plates and liquid-crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-04-10 US disclosed
EP-1057821-B1 METHOD FOR MODIFYING MELAMINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-05-26 EP disclosed
US-6307046-B1 HEATING MELAMINE AND AN ALCOHOL IN THE PRESENCE OF A MIXED CATALYST COMPRISING A HYDROGENATION CATALYST AND A DEHYDROGENATION CATALYST AND HYDROGEN NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-23 US disclosed
EP-1057821-A1 METHOD FOR MODIFYING MELAMINE DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed