SCHEMBL8425883

SCHEMBL8425883

N#C/C(=C\c1ccc([N+](=O)[O-])s1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HPGD P15428 6/20 0.48
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 9/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ALPG P10696 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PPME1 Q9Y570 2/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL8425885 1.00 PKM (0.49) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425886 1.00 PKM (0.49) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425622 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425618 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425615 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425871 0.86 PPME1 (0.39) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL9098601 0.86 PPME1 (0.39) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425872 0.86 PPME1 (0.39) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8427599 0.84 MAPT (0.37) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8427597 0.84 MAPT (0.37) PKML3MBTL1HPGDKMT2ASMN1; SMN2

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