SCHEMBL6258930

SCHEMBL6258930

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
THRB P10828 1/20 0.43
CHRM4 P08173 1/20 0.43
CNR2 P34972 2/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 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
SCHEMBL6259709 0.88 KCNQ3 (0.52) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6269798 0.81 ALDH1A1 (0.52) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6257613 0.77 S1PR4 (0.39) ALDH1A1TSHRHTTSMN1; SMN2MAPT
SCHEMBL6262091 0.76 SMN1; SMN2 (0.38) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6258908 0.72 MMP13 (0.53) ALDH1A1POLBTP53HTTSMN1; SMN2
SCHEMBL6263056 0.72 SMN1; SMN2 (0.51) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6259715 0.71 FAAH (0.47) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6257633 0.71 KMT2A (0.56) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6257286 0.70 FAAH (0.46) KCNQ3KCNQ2ALDH1A1GAATSHR
SCHEMBL6257282 0.70 FAAH (0.46) KCNQ3KCNQ2ALDH1A1GAATSHR

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