SCHEMBL8892385

SCHEMBL8892385

CCCCCCCCS(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 1/20 0.44
XBP1 P17861 1/20 0.44
ASAH2 Q9NR71 1/20 0.42
GUCY1B2 O75343 1/20 0.42
GUCY1A2 P33402 1/20 0.42
GUCY1A1 Q02108 1/20 0.42
GUCY1B1 Q02153 1/20 0.42
CYP19A1 P11511 3/20 0.42
GSR P00390 1/20 0.42
TXNRD1 Q16881 1/20 0.42
RIPK1 Q13546 4/20 0.40
CCNT1 O60563 1/20 0.40

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
SCHEMBL8891354 0.91 GUCY1B2 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL8900822 0.88 GUCY1B2 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8892306 0.81 GUCY1B2 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8893747 0.78 GUCY1B2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL14761953 0.76 KDM4E (0.58) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL2301817 0.74 RXFP1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL7347964 0.72 GUCY1B2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL31399941 0.71 CYP1A2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1259501 0.71 CYP1A2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2302821 0.71 RXFP1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997032858-A1 QUINOXALINE DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-12 WO disclosed