SCHEMBL8425618

SCHEMBL8425618

N#C/C(=C/c1ccc([N+](=O)[O-])s1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
PPME1 Q9Y570 3/20 0.50
PTGS2 P35354 1/20 0.39
MAPT P10636 6/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 4/20 0.36
MITF O75030 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALPG P10696 1/20 0.36
ALOX15 P16050 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
SCHEMBL8425615 1.00 PKM (0.51) PKML3MBTL1PPME1PTGS2MAPT
SCHEMBL8425622 1.00 PKM (0.51) PKML3MBTL1PPME1PTGS2MAPT
SCHEMBL8425885 0.89 PKM (0.49) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8425886 0.89 PKM (0.49) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8425883 0.89 PKM (0.49) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL9098601 0.87 PPME1 (0.39) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8425871 0.87 PPME1 (0.39) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8425872 0.87 PPME1 (0.39) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8427599 0.83 MAPT (0.37) PKML3MBTL1PPME1MAPTKMT2A
SCHEMBL8427597 0.83 MAPT (0.37) PKML3MBTL1PPME1MAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5886195-A REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE SUGEN, INC. (US) 1999-03-23 US claimed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO claimed
US-5886195-A REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE SUGEN, INC. (US) 1999-03-23 US disclosed
US-5710173-A ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS SUGEN, INC. (US) 1998-01-20 US disclosed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed