SCHEMBL9523121

SCHEMBL9523121

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)OC3CCCC3)c(Cl)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPOX P50336 3/20 0.35
HTR3A P46098 4/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32

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
SCHEMBL9520857 0.99 HPGD (0.35) HPGDSMN1; SMN2PPOXHTR3APOLB
SCHEMBL9520790 0.99 HPGD (0.35) HPGDSMN1; SMN2PPOXHTR3APOLB
SCHEMBL10412010 0.90 KDM4E (0.32) HPGDSMN1; SMN2POLB
SCHEMBL9521287 0.89 HTR3A (0.33) HPGDSMN1; SMN2HTR3AMAPTDHODH
SCHEMBL10410377 0.89 HPGD (0.31) HPGDSMN1; SMN2HTR3AHTR3EHTR3B
SCHEMBL9521366 0.89 HTR3A (0.31) HTR3AMAPTDHODH
SCHEMBL10410424 0.88 PPOX (0.34) HPGDPPOXHTR3APOLBDHODH
SCHEMBL10410736 0.87
SCHEMBL9521255 0.87 HPGD (0.37) HPGDSMN1; SMN2PPOXHTR3APOLB
SCHEMBL9522986 0.86 MAPT (0.38) HPGDSMN1; SMN2PPOXPOLBMAPT

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