SCHEMBL13588271

SCHEMBL13588271

Cc1nc(N(C)CCCNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.32
ESR2 Q92731 4/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL13688602 0.87 CRHR1 (0.36)
SCHEMBL13688604 0.87 KDM1A (0.34)
SCHEMBL9917156 0.86 CRHR1 (0.30)
SCHEMBL13433379 0.86 CRHR1 (0.32)
SCHEMBL12852166 0.86 KCNH2 (0.31)
SCHEMBL10649671 0.85 KCNH2 (0.33)
SCHEMBL12701577 0.85 CRHR1 (0.32)
SCHEMBL12701571 0.85 CRHR1 (0.32)
SCHEMBL13871940 0.84
SCHEMBL13588257 0.84 CRHR1 (0.33)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7628936-B2 Mixture of steric hindred amine compound with magnesium and zinc salt; photostability; heat and oxidation resistance; for polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-12-08 US disclosed