SCHEMBL27898701

SCHEMBL27898701

C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([nH]3)c2-c2ccccc2)C=C1.O=[N+]([O-])c1cccc([Au])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.58
▸ STAT1 P42224 1/20 0.58
▸ CYP19A1 P11511 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPBWR1 P48145 2/20 0.39
▸ GUSB P08236 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TOP1 P11387 1/20 0.37
▸ FASN P49327 1/20 0.37
▸ CYCS P99999 3/20 0.37

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
SCHEMBL8186744 0.85 STAT3 (0.55) STAT3STAT1CYP19A1MEN1KMT2A
SCHEMBL8186746 0.85 STAT3 (0.55) STAT3STAT1CYP19A1MEN1KMT2A
SCHEMBL27964560 0.85 STAT3 (0.76) STAT3STAT1TOP1CYCSENPP2
SCHEMBL10719623 0.84 STAT3 (0.57) STAT3STAT1CYP19A1MEN1KMT2A
SCHEMBL8347099 0.82 NPC1 (0.54) STAT3STAT1CYP19A1MEN1KMT2A
SCHEMBL1224432 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL30293296 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31550992 0.82 STAT3 (0.86) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31324940 0.81 STAT3 (0.84) STAT3STAT1TOP1CYCSENPP2
SCHEMBL31324939 0.81 STAT3 (0.84) STAT3STAT1TOP1CYCSENPP2

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-102180883-B Substituted porphyrin gold (III) compounds with anticancer activity and preparation method thereof UNIV YANGZHOU 2013-04-17 — — CN disclosed
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