SCHEMBL6640707

SCHEMBL6640707

OCCCCCNc1nc(Cl)nc(NCCCCCO)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
KCNH3 Q9ULD8 5/20 0.56
LMNA P02545 1/20 0.47
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MAPT P10636 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL6641480 0.89 KCNH3 (0.65) KMT2ACA12CA1CA2CA9
SCHEMBL6644498 0.89 KCNH3 (0.65) KMT2ACA12CA1CA2CA9
SCHEMBL6641410 0.88 KMT2A (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL9357110 0.88 KMT2A (0.61) KMT2ACA12CA1CA2CA9
SCHEMBL6641584 0.87 KCNH3 (0.61) KMT2ACA12CA1CA2CA9
SCHEMBL140123 0.85 KMT2A (0.61) KMT2ACA12CA1CA2CA9
SCHEMBL9754777 0.83 KMT2A (0.70) KMT2ACA12CA1CA2CA9
SCHEMBL20053796 0.83 KMT2A (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL3295993 0.80 KCNH3 (0.60) KMT2ACA12CA1CA2CA9
SCHEMBL6639513 0.80 KCNH3 (0.56) KMT2ACA12CA1CA2CA9

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