SCHEMBL6639253

SCHEMBL6639253

OCCOCCNc1nc(Cl)nc(NCCOCCO)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.56
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL1292560 0.90 KCNH3 (0.65) KCNH3KMT2AALDH1A1
SCHEMBL2843832 0.81 KCNH3 (0.56) KCNH3KMT2AALDH1A1
SCHEMBL8146602 0.81 KCNH3 (0.56) KCNH3KMT2AMAPTALDH1A1
SCHEMBL9754777 0.80 KMT2A (0.70) KMT2ALMNAMAPTCA12CA1
SCHEMBL8468622 0.78 KCNH3 (0.53) KCNH3KMT2AMAPTALDH1A1
SCHEMBL5470953 0.78 KCNH3 (0.56) KCNH3KMT2AMAPTALDH1A1
SCHEMBL2370363 0.78 KCNH3 (0.53) KCNH3KMT2ACA1CA2CA9
SCHEMBL7777696 0.76 KCNH3 (0.51) KCNH3KMT2ACA1CA2CA9
SCHEMBL8467538 0.76 KCNH3 (0.51) KCNH3KMT2ALMNAMAPTALDH1A1
SCHEMBL18210952 0.76 KCNH3 (0.51) KCNH3KMT2ACA12CA1CA2

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
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