SCHEMBL9520570

SCHEMBL9520570

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)OCC3CC3)c(Cl)cc2F)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
HTR4 Q13639 4/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
HTR2C P28335 4/20 0.34
ADRA2C P18825 3/20 0.34
HTR1D P28221 3/20 0.34
ADRA1A P35348 3/20 0.34
HTR2B P41595 3/20 0.34
ADRA2B P18089 2/20 0.34
ADRA1B P35368 1/20 0.34
HTR3A P46098 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL31448205 0.90 GABRA1 (0.31) GAAHTR4GABRA1GABRG2GABRB3
SCHEMBL10410194 0.89 MEN1 (0.35) GAALMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL9521057 0.88 GAA (0.38) GAAHTR4GABRA1GABRG2GABRB3
SCHEMBL10410534 0.88 SCN9A (0.36) GAAHTR4LMNAHPGDSMN1; SMN2
SCHEMBL6336900 0.88 BAZ2B (0.46) GAALMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL10575497 0.87 PPOX (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9523236 0.87 TP53 (0.38) GAALMNAHPGDSMN1; SMN2MAPT
SCHEMBL9494742 0.86 GUSB (0.36) GAAHTR4LMNAHPGDSMN1; SMN2
SCHEMBL26942116 0.86 GAA (0.40) GAALMNAHPGDSMN1; SMN2CYP1A2
SCHEMBL9523121 0.85 HPGD (0.35) HTR3AHPGDSMN1; SMN2HTR3EHTR3B

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
EP-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP claimed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed