SCHEMBL9747366

SCHEMBL9747366

O=c1[nH]c2ccc3cc(S(=O)(=O)Cl)ccc3c2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
PARP1 P09874 3/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GRM6 O15303 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
RECQL P46063 1/20 0.35
GRIA4 P48058 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL9747632 0.85 LMNA (0.45) BRD4TAS2R14KDM4EALDH1A1MEN1
SCHEMBL9747703 0.77 ALDH1A1 (0.41) BRD4TAS2R14PARP1KDM4EALDH1A1
SCHEMBL2194658 0.77 TAS2R14 (0.61) TAS2R14PARP1KDM4EALDH1A1MEN1
SCHEMBL9747279 0.74 MAPT (0.49) TAS2R14KDM4EALDH1A1MEN1GRM6
SCHEMBL29460062 0.72 F11 (0.58) MEN1MAPTTHRBKMT2ARXFP1
SCHEMBL3223011 0.72 F11 (0.58) MEN1MAPTTHRBKMT2ARXFP1
SCHEMBL14722076 0.72 BRD4 (0.53) BRD4TAS2R14PARP1KDM4EALDH1A1
SCHEMBL17824995 0.72 PARG (0.58) BRD4TAS2R14KDM4EMAPTRXFP1
SCHEMBL4714760 0.72 RXFP1 (0.42) BRD4TAS2R14PARP1KDM4EMAPT
SCHEMBL9747658 0.71 IMPDH2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed