SCHEMBL9178589

SCHEMBL9178589

CCOC(=O)C1=Nc2ccccc2C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HIF1A Q16665 1/20 0.51
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
KDM4E B2RXH2 4/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43

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
SCHEMBL9724293 0.83 GAA (0.43) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL29191703 0.79 NOTUM (0.41) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL5486400 0.77 POLB (0.40) MAPTLMNAHSP90AA1TSHRKMT2A
SCHEMBL9060888 0.75 ALDH1A1 (0.40) MAPTLMNAHSP90AA1GAATSHR
SCHEMBL4738113 0.75 MAPT (0.66) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL27884550 0.72 MAPT (0.48) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL1394908 0.71 KMT2A (0.39) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL9181125 0.71 MAPT (0.35) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL14270581 0.71 MAPT (0.64) MAPTHTTLMNASMN1; SMN2HSP90AA1
SCHEMBL4764684 0.70 SHMT2 (0.39) MAPTHTTLMNASMN1; SMN2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
EP-0412848-B1 Quinoline derivatives, process for their preparation and their use as medicaments ICI PLC (GB) 1995-01-18 EP disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP disclosed