SCHEMBL20918178

SCHEMBL20918178

COc1cc2ncc[c]c2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
NNMT P40261 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
EGFR P00533 2/20 0.31

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
SCHEMBL197798 0.74 PDGFRB (0.46) EGFRPDGFRBPDGFRAKDM4E
SCHEMBL660837 0.71 HTR1A (0.43) EGFRPDGFRBPDGFRAKDM4E
SCHEMBL5658397 0.70 KDM4E (0.43) LOXLOXL2NNMTGABRPGABRD
SCHEMBL4471481 0.68 ALDH1A1 (0.46) CYP2A6KDM4E
SCHEMBL9911108 0.68 EGFR (0.42) LOXLOXL2NNMTGABRPGABRD
SCHEMBL590041 0.68 LMNA (0.43) EGFRPDGFRBPDGFRAKDM4E
SCHEMBL3936581 0.66
SCHEMBL25190502 0.64 GABRP (0.38) LOXLOXL2NNMTGABRPGABRD
SCHEMBL4054735 0.64 PDE10A (0.34) NNMTPDGFRBPDGFRA
SCHEMBL24393384 0.64 GABRP (0.41) LOXLOXL2NNMTGABRPGABRD

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
WO-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 WO claimed