SCHEMBL8427593

SCHEMBL8427593

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.39
KMT2A Q03164 12/20 0.39
LMNA P02545 11/20 0.39
MEN1 O00255 11/20 0.39
HTT P42858 9/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 8/20 0.37
MITF O75030 6/20 0.37
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
SMN1; SMN2 Q16637 7/20 0.37
HSP90AA1 P07900 4/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 4/20 0.36
RECQL P46063 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 2/20 0.35

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
SCHEMBL8427588 1.00 MAPT (0.39) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8427595 1.00 MAPT (0.39) MAPTKMT2ALMNAMEN1HTT
SCHEMBL9099709 0.85 MAPT (0.44) MAPTKMT2ALMNAMEN1HTT
SCHEMBL9099716 0.85 MAPT (0.44) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425885 0.79 PKM (0.49) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425883 0.79 PKM (0.49) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425886 0.79 PKM (0.49) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425618 0.78 PKM (0.51) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425615 0.78 PKM (0.51) MAPTKMT2ALMNAMEN1HTT
SCHEMBL8425622 0.78 PKM (0.51) MAPTKMT2ALMNAMEN1HTT

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