SCHEMBL9779442

SCHEMBL9779442

Cc1nc(-c2ccccc2)cc(-c2cccc(C#N)c2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.54
PIN1 Q13526 1/20 0.51
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SLC22A12 Q96S37 2/20 0.45
XDH P47989 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALDH1A3 P47895 1/20 0.43
EIF4E P06730 1/20 0.43
POLB P06746 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL9779299 0.88 F11 (0.55) F11PIN1SLC22A12XDHALDH1A1
SCHEMBL9779393 0.83 ADORA3 (0.51) F11PIN1GABRG2GABRB3GABRA5
SCHEMBL9779192 0.80 ADORA2A (0.53) F11XDHGABRA1GABRG2GABRB3
SCHEMBL10430923 0.80 GABRA1 (0.50) F11PIN1GABRA1GABRG2GABRB3
SCHEMBL10465235 0.79 LRRK2 (0.46) F11ALDH1A1POLB
SCHEMBL9779491 0.77 ADORA2A (0.46) F11PIN1ADORA2AADORA1ALDH1A1
SCHEMBL10465234 0.76 ALDH1A1 (0.38) F11PIN1ALDH1A1POLB
SCHEMBL9874282 0.76 MAPT (0.55) PDE4APDE4CPDE4DALDH1A1
SCHEMBL8878224 0.76 MAPT (0.51) ADORA2AADORA1ALDH1A1
SCHEMBL9779236 0.76 ALDH1A1 (0.48) F11PIN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed