SCHEMBL27847765

SCHEMBL27847765

CC(C)Cc1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3.[Ni]

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 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
SCHEMBL31344426 0.81 STAT3 (0.37) STAT3STAT1KDM4EMAPT
SCHEMBL460385 0.81 STAT3 (0.37) STAT3STAT1
SCHEMBL144249 0.81 STAT3 (0.37) STAT3STAT1KDM4EMAPT
SCHEMBL29470202 0.80 STAT3 (0.36) STAT3STAT1KDM4EMAPT
SCHEMBL29790221 0.80 STAT3 (0.36) STAT3STAT1KDM4EMAPT
SCHEMBL28063501 0.80 STAT3 (0.36) STAT3STAT1KDM4EMAPT
SCHEMBL28106271 0.80 STAT3 (0.36) STAT3STAT1KDM4EMAPT
SCHEMBL28046065 0.80 STAT3 (0.31) STAT3STAT1
SCHEMBL1944651 0.79 STAT3 (0.35) STAT3STAT1
SCHEMBL29141459 0.78 STAT3 (0.37) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101921210-B Amphiphilic tree-like calixarene used as solubilizer or dispersing agent UNIV HUAZHONG SCIENCE TECH 2013-04-17 — — CN disclosed
CN-101921210-A Amphiphilic tree-like calixarene used as solubilizer or dispersing agent UNIV HUAZHONG SCIENCE TECH 2010-12-22 — — CN disclosed
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