SCHEMBL8550702

SCHEMBL8550702

Nc1cc(Cl)ccc1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.59
ALDH1A1 P00352 9/20 0.59
TDP1 Q9NUW8 5/20 0.59
HTT P42858 4/20 0.59
ALOX15 P16050 3/20 0.59
MAPT P10636 10/20 0.59
KDM4E B2RXH2 8/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP2D6 P10635 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.57
GFER P55789 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 2/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 3/20 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
Bicarbonate SCHEMBL9597360 0.89 GAA (0.59) GAAALDH1A1TDP1HTTALOX15
SCHEMBL11750321 0.88 ALDH1A1 (0.48) GAAALDH1A1TDP1HTTALOX15
SCHEMBL11738231 0.87 FADS1 (0.53) GAAALDH1A1TDP1HTTALOX15
SCHEMBL4925570 0.85 MAPT (0.59) GAAALDH1A1TDP1HTTALOX15
SCHEMBL26894571 0.82 L3MBTL1 (0.59) GAAALDH1A1TDP1HTTALOX15
SCHEMBL31301150 0.81 KEAP1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL16238966 0.81 KEAP1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL8465011 0.80 MAPT (0.66) GAAALDH1A1TDP1HTTALOX15
SCHEMBL656253 0.80 GAA (0.69) GAAALDH1A1TDP1HTTALOX15
SCHEMBL8693690 0.80 MAPT (0.63) 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 15 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-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 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-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed
EP-0374991-A1 New antimicrobial phenazine derivatives, method for their preparation, compositions containing them, and their use in therapy WESTMART HILL LIMITED (IE) 1990-06-27 EP disclosed
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed