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Sugi Predict / Compounds / SCHEMBL12852166

SCHEMBL12852166

SCHEMBL12852166

Cc1nc(N(C)CNc2nc(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 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.31
▸ ALOX15 P16050 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
SCHEMBL13588271 0.86 ESR1 (0.32) —
SCHEMBL12402104 0.85 KCNH2 (0.31) KCNH2
SCHEMBL10135297 0.84 KCNH2 (0.39) KCNH2ALOX15
SCHEMBL12852165 0.82 KCNH2 (0.34) KCNH2ALOX15
SCHEMBL10649671 0.79 KCNH2 (0.33) KCNH2ALOX15
SCHEMBL12701571 0.78 CRHR1 (0.32) —
SCHEMBL24145430 0.78 ALDH1A1 (0.34) KCNH2ALOX15
SCHEMBL9089687 0.78 CDK1 (0.36) KCNH2ALOX15
SCHEMBL13688602 0.78 CRHR1 (0.36) —
SCHEMBL18623967 0.78 ALOX15 (0.42) KCNH2ALOX15

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-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 — — US disclosed