SCHEMBL8889074

SCHEMBL8889074

CS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1NS(C)(=O)=O

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.80
TSHR P16473 3/20 0.59
ALDH1A1 P00352 12/20 0.58
KDM4E B2RXH2 9/20 0.58
HPGD P15428 6/20 0.58
HSD17B10 Q99714 6/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 2/20 0.56
RCE1 Q9Y256 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KEAP1 Q14145 1/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL11708769 0.89 KMT2A (1.00) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL220059 0.86 KMT2A (0.72) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL9624375 0.86 KMT2A (0.67) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL8006673 0.85 KMT2A (0.65) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL7869937 0.85 KMT2A (0.65) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL1127360 0.85 KMT2A (0.65) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL20491087 0.84 KMT2A (0.77) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL647703 0.83 TSHR (0.82) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL530857 0.83 KMT2A (0.68) KMT2ATSHRALDH1A1KDM4EHPGD
SCHEMBL16474308 0.82 BDKRB1 (0.62) KMT2ATSHRALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed