SCHEMBL27893086

SCHEMBL27893086

C1=Cc2cc3cc(-c4cccc5ccc6cc7ccccc7cc6c45)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ ATM Q13315 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
SCHEMBL28838451 0.89 STAT3 (0.36) STAT3STAT1
SCHEMBL6014814 0.84 STAT3 (0.50) STAT3STAT1
SCHEMBL29148782 0.83 STAT3 (0.33) STAT3STAT1ALDH1A1TSHRMAPK1
SCHEMBL27806718 0.83 STAT3 (0.49) STAT3STAT1
SCHEMBL27826953 0.83 STAT3 (0.49) STAT3STAT1
SCHEMBL11779149 0.83 STAT3 (0.32) STAT3STAT1
SCHEMBL6152402 0.83 STAT3 (0.49) STAT3STAT1
Hydrochloric Acid SCHEMBL7609957 0.82 STAT3 (0.48) STAT3STAT1
Hydrochloric Acid SCHEMBL7609949 0.82 STAT3 (0.48) STAT3STAT1
Hydrochloric Acid SCHEMBL28328223 0.82 STAT3 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102961755-A Ligand-functioned super-molecular nano-drug delivery system for treating tumor UNIV CHONGQING 2013-03-13 — — CN disclosed
Send feedback