SCHEMBL8616801

SCHEMBL8616801

Nc1cc(Cl)c(Cl)cc1Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.61
ALDH1A1 P00352 9/20 0.61
TDP1 Q9NUW8 6/20 0.61
HTT P42858 3/20 0.61
ALOX15 P16050 3/20 0.61
MAPT P10636 12/20 0.56
KDM4E B2RXH2 9/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
L3MBTL1 Q9Y468 5/20 0.50
HSD17B10 Q99714 4/20 0.50
GFER P55789 3/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL1441446 0.85 GAA (0.54) GAAALDH1A1TDP1HTTALOX15
SCHEMBL5084625 0.85 MAPT (0.67) GAAALDH1A1TDP1HTTALOX15
SCHEMBL5080900 0.83 MAPT (0.64) GAAALDH1A1TDP1HTTALOX15
SCHEMBL10368992 0.81 GAA (0.50) GAAALDH1A1TDP1HTTALOX15
SCHEMBL9629905 0.81 ALDH1A1 (0.62) GAAALDH1A1TDP1HTTALOX15
Hydrochloric Acid SCHEMBL9797327 0.81 MAPT (0.61) GAAALDH1A1TDP1HTTALOX15
SCHEMBL14315671 0.81 ALDH1A1 (0.67) GAAALDH1A1TDP1HTTALOX15
SCHEMBL5604998 0.79 MAPT (0.59) GAAALDH1A1TDP1HTTALOX15
SCHEMBL5605306 0.79 MAPT (0.59) GAAALDH1A1TDP1HTTALOX15
SCHEMBL28147013 0.79 GAA (0.41) GAAALDH1A1TDP1HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014074-A1 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed