SCHEMBL789757

SCHEMBL789757

COc1ncc(Br)cc1S(=O)(=O)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
TSHR P16473 4/20 0.51
ALDH1A1 P00352 5/20 0.50
NPBWR1 P48145 1/20 0.50
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.45
MCOLN3 Q8TDD5 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL14305917 0.99 GAA (0.57) GAATSHRALDH1A1NPBWR1KMT2A
SCHEMBL10289141 0.89 MAPT (0.49) GAATSHRALDH1A1L3MBTL1KDM4E
SCHEMBL9954016 0.88 TSHR (0.50) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL28096087 0.85 HSD17B10 (0.52) GAATSHRALDH1A1KMT2AKDM4E
SCHEMBL9955070 0.81 GAA (0.41) GAATSHRALDH1A1KMT2AL3MBTL1
SCHEMBL9954790 0.80 SHMT2 (0.41) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL856580 0.78 KDM4E (0.62) GAATSHRALDH1A1KMT2AL3MBTL1
SCHEMBL10157348 0.77 KDM4E (0.60) GAATSHRALDH1A1KMT2AL3MBTL1
SCHEMBL1502532 0.75 CA12 (0.44) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL20680333 0.75 SHMT2 (0.40) TSHRALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed