SCHEMBL8425886

SCHEMBL8425886

N#CC(=Cc1ccc([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
SCHEMBL8425883 1.00 PKM (0.49) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425615 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425622 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425618 0.89 PKM (0.51) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL9098601 0.86 PPME1 (0.39) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425872 0.86 PPME1 (0.39) PKML3MBTL1HPGDKMT2ASMN1; SMN2
SCHEMBL8425871 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
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