SCHEMBL5984515

SCHEMBL5984515

c1ccc2oc(-n3cnc4ccccc43)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
POLB P06746 1/20 0.47
FGFR1 P11362 3/20 0.46
PIK3CB P42338 1/20 0.46

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
SCHEMBL12859701 0.80 FGFR1 (0.62) HTTFGFR1
SCHEMBL29089211 0.77 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30821446 0.77 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6571671 0.74 MAOB (0.52) HTTPOLBFGFR1PIK3CBROCK1
SCHEMBL8344942 0.73 HTT (0.60) HTTPOLBFGFR1PIK3CBROCK1
SCHEMBL16484352 0.72 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9025863 0.72 PIK3CB (0.68) HTTPOLBFGFR1PIK3CBROCK1
SCHEMBL3417306 0.70 HTT (0.73) HTTPOLBFGFR1ROCK1MKNK1
SCHEMBL30402227 0.70 HTT (0.88) HTTPOLBFGFR1
SCHEMBL3419279 0.70 HTT (0.88) HTTPOLBFGFR1

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
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US claimed
EP-1653973-A1 COMBINATIONS COMPRISING STAUROSPORINES Novartis AG (CH) 2006-05-10 EP disclosed
WO-2005014004-A1 COMBINATIONS COMPRISING STAUROSPORINES NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-4877720-A PHOTOGRAPHIC POLYMER WHICH UNDERGOES REDUCTION UPON DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed