Sugi Predict

Sugi Predict / Compounds / SCHEMBL11084336

SCHEMBL11084336

SCHEMBL11084336

CN(C)CCCN(c1ncnc(N(CCN(c2ncnc(N(CCCN(C)C)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL11078257 0.90 KCNH2 (0.30) KCNH2
SCHEMBL11079499 0.87 CHRM1 (0.36) KCNH2
SCHEMBL11086940 0.87 IGF1R (0.32) —
SCHEMBL28859104 0.86 HTT (0.31) ALOX15
SCHEMBL13285568 0.84 KCNH2 (0.33) KCNH2ALOX15
SCHEMBL10812579 0.83 KCNH2 (0.31) KCNH2
SCHEMBL11426404 0.81 CRHR1 (0.33) —
SCHEMBL10912673 0.80 KCNH2 (0.31) KCNH2
SCHEMBL15180153 0.79 KCNH2 (0.30) KCNH2
SCHEMBL10365253 0.79 — —

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-4433145-A HEAT AND LIGHT STABILIZERS FOR POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-21 — — US disclosed