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Sugi Predict / Compounds / SCHEMBL17200742

SCHEMBL17200742

SCHEMBL17200742

CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.CC(=O)Nc1ccc([I+]c2ccc(NC(C)=O)cc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ MB P02144 1/20 0.48
▸ CYP1A1 P04798 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
Lindane SCHEMBL5696028 0.91 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3621962 0.87 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL29735928 0.84 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.74 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL8887300 0.72 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL6036738 0.71 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
Toliodium SCHEMBL4178434 0.71 HPGD (0.39) KMT2AMEN1CA1CA2CA12
SCHEMBL1753885 0.69 KMT2A (0.81) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL2615418 0.69 KMT2A (0.81) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL8043270 0.68 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-20150306845-A1 LAMINATION MADE OF RIGID SUBSTRATES WITH THIN ADHESIVE STRIPS TESA SE (DE) 2015-10-29 — — US disclosed