SCHEMBL6257633

SCHEMBL6257633

Cc1cc(Cl)c(C(=O)NCc2ccc(F)cc2)c(Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
ATM Q13315 1/20 0.52
CHRM4 P08173 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2128166 0.83 KMT2A (0.81) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL6263056 0.83 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL6259709 0.82 KCNQ3 (0.52) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL6269798 0.78 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL6362752 0.75 KMT2A (0.60) KMT2AMEN1ALDH1A1TSHRATM
SCHEMBL26608490 0.74 POLB (0.54) KMT2AMEN1ALDH1A1GAAATM
SCHEMBL2131055 0.74 KMT2A (0.59) KMT2AMEN1ALDH1A1GAATSHR
SCHEMBL4223601 0.74 TP53 (0.50) KMT2AALDH1A1GAATSHRKCNQ3
SCHEMBL6029625 0.73 KMT2A (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL6258908 0.73 MMP13 (0.53) ALDH1A1CHRM4SMN1; SMN2HTTTHRB

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