SCHEMBL8900822

SCHEMBL8900822

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.48
GUCY1A2 P33402 1/20 0.48
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48
RXFP1 Q9HBX9 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RHOA P61586 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGK1 P00558 1/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 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 0.92 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RXFP1
SCHEMBL8892385 0.88 MEN1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RXFP1
SCHEMBL8892306 0.87 GUCY1B2 (0.50) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RXFP1
SCHEMBL8893747 0.84 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1RXFP1
SCHEMBL2301817 0.81 RXFP1 (0.67) RXFP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8890570 0.79 PGK1 (0.48) RXFP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7347964 0.79 GUCY1B2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MEN1
SCHEMBL3578944 0.78 RXFP1 (0.62) RXFP1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31399941 0.78 CYP1A2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MEN1
SCHEMBL1259501 0.78 CYP1A2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1MEN1

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