SCHEMBL8425872

SCHEMBL8425872

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 3/20 0.39
PKM P14618 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NR1D1 P20393 1/20 0.36
STAT3 P40763 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
MITF O75030 4/20 0.34
HTT P42858 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALPG P10696 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL9098601 1.00 PPME1 (0.39) PPME1PKML3MBTL1NR1D1STAT3
SCHEMBL8425871 1.00 PPME1 (0.39) PPME1PKML3MBTL1NR1D1STAT3
SCHEMBL9096556 0.88 PPME1 (0.42) PPME1PKML3MBTL1NR1D1KMT2A
SCHEMBL8427565 0.88 PPME1 (0.42) PPME1PKML3MBTL1NR1D1KMT2A
SCHEMBL8427566 0.88 PPME1 (0.42) PPME1PKML3MBTL1NR1D1KMT2A
SCHEMBL8425622 0.87 PKM (0.51) PPME1PKML3MBTL1KMT2AMEN1
SCHEMBL8425615 0.87 PKM (0.51) PPME1PKML3MBTL1KMT2AMEN1
SCHEMBL8425618 0.87 PKM (0.51) PPME1PKML3MBTL1KMT2AMEN1
SCHEMBL8425885 0.86 PKM (0.49) PPME1PKML3MBTL1KMT2AMEN1
SCHEMBL8425883 0.86 PKM (0.49) PPME1PKML3MBTL1KMT2AMEN1

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