SCHEMBL6259709

SCHEMBL6259709

CCCOc1cc(C)nc(Cl)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
FAAH O00519 2/20 0.45
THRB P10828 1/20 0.45
CHRM4 P08173 1/20 0.45
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SPR P35270 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PTPN7 P35236 1/20 0.42
DUSP3 P51452 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
SCHEMBL6258930 0.88 KCNQ3 (0.50) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL6263056 0.84 SMN1; SMN2 (0.51) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL6257633 0.82 KMT2A (0.56) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL6259715 0.77 FAAH (0.47) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL6257286 0.76 FAAH (0.46) KCNQ3KCNQ2KMT2AALDH1A1GAA
SCHEMBL2128166 0.76 KMT2A (0.81) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL6257282 0.75 FAAH (0.46) KCNQ3KCNQ2KMT2AALDH1A1GAA
SCHEMBL3229764 0.75 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL6269798 0.71 ALDH1A1 (0.52) KCNQ3KCNQ2KMT2AMEN1ALDH1A1
SCHEMBL2131055 0.70 KMT2A (0.59) KCNQ3KCNQ2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005070889-A1 HERBICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-08-04 WO disclosed