SCHEMBL27788926

SCHEMBL27788926

O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ HTR6 P50406 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HTT P42858 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL27838815 0.86 PIK3CA (0.54) PIK3CAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL27767403 0.82 PKM (0.58) PIK3CAKDM4ENPSR1RXFP1KMT2A
SCHEMBL27843384 0.81 L3MBTL1 (0.47) PIK3CAKDM4ENPSR1RXFP1KMT2A
SCHEMBL16077775 0.77 TDP1 (0.54) KDM4ENPSR1RXFP1KMT2AMEN1
SCHEMBL3697579 0.77 TDP1 (0.54) KDM4ENPSR1RXFP1KMT2AMEN1
SCHEMBL29714271 0.77 TDP1 (0.54) KDM4ENPSR1RXFP1KMT2AMEN1
SCHEMBL61762 0.77 TDP1 (0.54) KDM4ENPSR1RXFP1KMT2AMEN1
SCHEMBL3694109 0.76 TDP1 (0.52) KDM4ENPSR1RXFP1KMT2AMEN1
Potassium Ion SCHEMBL3703885 0.76 TDP1 (0.52) PIK3CAKDM4ENPSR1RXFP1KMT2A
SCHEMBL3694520 0.76 TDP1 (0.52) KDM4ENPSR1RXFP1KMT2AMEN1

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
CN-102250022-B Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2013-10-16 — — CN disclosed
CN-102250022-A Substituted quinoxalinamine compounds, and preparation method and application thereof UNIV ZHEJIANG 2011-11-23 — — CN disclosed
CN-101602737-B Benzenesulfonyl quinoxaline compound and preparation method and application thereof UNIV ZHEJIANG 2011-09-14 — — CN disclosed
CN-101602737-B Benzenesulfonyl quinoxaline compound and preparation method and application thereof UNIV ZHEJIANG 2011-09-14 — — CN disclosed
CN-101602737-A Benzenesulfonyl quinoxaline compound and preparation method and purposes UNIV ZHEJIANG (CN) 2009-12-16 — — CN disclosed
Send feedback