SCHEMBL9521287

SCHEMBL9521287

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C(=O)OC3CCOC3)c(Cl)cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
PTGES O14684 1/20 0.32
DHODH Q02127 2/20 0.32
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL10410241 0.93 HTR3A (0.33) HTR3AHPGDSMN1; SMN2MAPTTSHR
SCHEMBL9521366 0.91 HTR3A (0.31) HTR3AMAPTTSHRDHODH
SCHEMBL9523121 0.89 HPGD (0.35) HTR3AHPGDSMN1; SMN2MAPTDHODH
SCHEMBL9520464 0.88 HTR3A (0.35) HTR3AHPGDSMN1; SMN2MAPTTSHR
SCHEMBL9520857 0.88 HPGD (0.35) HTR3AHPGDSMN1; SMN2MAPTDHODH
SCHEMBL9520790 0.88 HPGD (0.35) HTR3AHPGDSMN1; SMN2MAPTDHODH
SCHEMBL10412010 0.85 KDM4E (0.32) HPGDSMN1; SMN2TSHR
SCHEMBL10410377 0.84 HPGD (0.31) HTR3AHPGDSMN1; SMN2
SCHEMBL10410736 0.82
SCHEMBL10411959 0.82 HTR3A (0.34) HTR3ASMN1; SMN2MAPTDHODHTP53

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