SCHEMBL11757992

SCHEMBL11757992

N#CC(=Cc1ccc(C=Cc2ccc(C=C(C#N)S(=O)(=O)c3ccccc3)cc2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
ALDH1A1 P00352 9/20 0.69
HPGD P15428 7/20 0.69
KDM4E B2RXH2 5/20 0.69
KMT2A Q03164 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
MEN1 O00255 3/20 0.69
HSD17B10 Q99714 2/20 0.69
POLB P06746 2/20 0.69
GAA P10253 1/20 0.69
ALPG P10696 1/20 0.69
ALOX15 P16050 1/20 0.69
ALOX12 P18054 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
MAPT P10636 4/20 0.57
NEK2 P51955 1/20 0.54
LMNA P02545 4/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 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
SCHEMBL11761154 0.98 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11761160 0.98 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4912425 0.92 PKM (0.79) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4909612 0.92 PKM (0.79) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL4909621 0.92 PKM (0.79) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1248024 0.89 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL1248023 0.89 PKM (0.76) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11744761 0.88 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL11744756 0.88 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL29289226 0.88 PKM (0.74) PKML3MBTL1ALDH1A1HPGDKDM4E

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-4001221-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed