SCHEMBL8809798

SCHEMBL8809798

Cc1coc2cc(C#N)ncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
EGLN2 Q96KS0 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL7926059 0.76 UHRF1 (0.43) ALDH1A1KDM4EPOLBKMT2AHSD17B10
SCHEMBL21927619 0.70 EGLN2 (0.41) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL1643568 0.69 NOS3 (0.44) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL19248240 0.68 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBKMT2AHSD17B10
SCHEMBL23139299 0.67 MAPT (0.40) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL24228131 0.66 EGLN2 (0.38) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL153228 0.66 CHEK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19248241 0.66 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBKMT2AHSD17B10
SCHEMBL22977515 0.64 CHEK1 (0.40) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL20917328 0.64 CHEK1 (0.40) ALDH1A1KDM4EGABRPGABRDGABRA1

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-1997000875-A1 BENZIMIDAZOLE DERIVATIVES CONTAINING FUSED PYRIDINE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-01-09 WO disclosed