SCHEMBL5216599

SCHEMBL5216599

COc1ccc(-c2nn3ccc(Cl)cc3c2C(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP2 O95551 1/20 0.41

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
SCHEMBL5214932 0.86 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6822005 0.80 EGFR (0.45) MAPTLMNAMEN1KMT2A
SCHEMBL5219219 0.79 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5218362 0.77 MAPT (0.41) ALDH1A1MAPTNPC1
SCHEMBL6105823 0.74 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL6822071 0.71 EGFR (0.46) ALDH1A1MAPTL3MBTL1ATMMEN1
SCHEMBL1936155 0.71 DHODH (0.41) LMNAL3MBTL1ATMDHODHADORA1
SCHEMBL5215934 0.71 MAPK14 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4472139 0.70 PTGS1 (0.58) ALDH1A1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL1936125 0.70 LMNA (0.45) ALDH1A1MAPTLMNAL3MBTL1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed