SCHEMBL9522017

SCHEMBL9522017

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 3/20 0.32
DHODH Q02127 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
MYC P01106 1/20 0.30
NR4A1 P22736 1/20 0.30
CTSB P07858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2976620 0.91 NOTUM (0.34) HPGDSMN1; SMN2NOTUMDHODHPOLB
SCHEMBL9350427 0.82 NOTUM (0.40) HPGDSMN1; SMN2NOTUMPOLBAPEX1
SCHEMBL9878390 0.82 HPGD (0.40) HPGDDHODHPOLBAPEX1
SCHEMBL29449329 0.81 POLB (0.32) HPGDSMN1; SMN2DHODHPOLBAPEX1
SCHEMBL9423295 0.81 POLB (0.32) HPGDSMN1; SMN2DHODHPOLBAPEX1
SCHEMBL4404031 0.81 POLB (0.32) HPGDSMN1; SMN2DHODHPOLBAPEX1
SCHEMBL20356681 0.81 NOTUM (0.36) NOTUMMYCNR4A1CTSBTDP1
SCHEMBL31362249 0.81 LMNA (0.34) HPGDSMN1; SMN2POLBAPEX1
SCHEMBL9497444 0.81 POLB (0.32) HPGDSMN1; SMN2DHODHPOLBAPEX1
SCHEMBL9497450 0.81 GRM4 (0.30)

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
EP-0323487-B1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed
US-4941909-A HERBICIDES, PYRIMIDONE BENZOATES HOFFMANN-LA ROCHE INC. (US) 1990-07-17 US disclosed