SCHEMBL9099709

SCHEMBL9099709

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.44
ALDH1A1 P00352 9/20 0.44
HTT P42858 7/20 0.44
MITF O75030 6/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
EGFR P00533 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 8/20 0.39
POLB P06746 3/20 0.39
HSP90AA1 P07900 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 6/20 0.39
PSMD14 O00487 1/20 0.38
NPC1 O15118 2/20 0.38
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL9099716 1.00 MAPT (0.44) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8427595 0.85 MAPT (0.39) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8427588 0.85 MAPT (0.39) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8427593 0.85 MAPT (0.39) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425885 0.84 PKM (0.49) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425883 0.84 PKM (0.49) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425886 0.84 PKM (0.49) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425618 0.83 PKM (0.51) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425615 0.83 PKM (0.51) MAPTALDH1A1HTTMITFKDM4E
SCHEMBL8425622 0.83 PKM (0.51) MAPTALDH1A1HTTMITFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO claimed
WO-1996040675-A1 THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS SUGEN, INC. (US) 1996-12-19 WO disclosed