SCHEMBL9163553

SCHEMBL9163553

CC(C)(C)S(=O)(=O)C(C#N)=Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 2/20 0.46
ALDH1A1 P00352 8/20 0.44
POLB P06746 3/20 0.44
EGFR P00533 2/20 0.42
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9163544 1.00 PPME1 (0.46) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL8755116 0.84 PKM (0.44) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL8755120 0.84 PKM (0.44) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL9163842 0.84 PPME1 (0.58) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL4144063 0.82 NEK2 (0.49) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL4144065 0.82 NEK2 (0.49) PPME1ALDH1A1POLBEGFRPKM
SCHEMBL4179092 0.70 HPGD (0.54) ALDH1A1PKMKMT2AHPGDKDM4E
SCHEMBL4179080 0.70 HPGD (0.54) ALDH1A1PKMKMT2AHPGDKDM4E
SCHEMBL4179090 0.70 HPGD (0.54) ALDH1A1PKMKMT2AHPGDKDM4E
SCHEMBL4071042 0.69 HPGD (0.51) ALDH1A1POLBEGFRPKML3MBTL1

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-5410630-A Optical article containing a polymer exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (US) 1995-04-25 US disclosed