SCHEMBL6135750

SCHEMBL6135750

CN(C)CCOc1ccccc1C(=O)NC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.57
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
BRPF1 P55201 1/20 0.48
HTR7 P34969 3/20 0.47
RBP4 P02753 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1B P28222 1/20 0.44
HRH1 P35367 1/20 0.44

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
SCHEMBL4753614 0.86 ALDH1A1 (0.54) RXFP1KDM4EALDH1A1SMN1; SMN2BRPF1
SCHEMBL7630835 0.82 KDM4E (0.55) RXFP1KDM4EALDH1A1SMN1; SMN2HTR7
SCHEMBL10066976 0.80 RXFP1 (0.64) RXFP1KDM4EALDH1A1SMN1; SMN2BRPF1
SCHEMBL7956961 0.79 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HTR7GAA
SCHEMBL6669660 0.78 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2HTR7LMNA
SCHEMBL3453978 0.78 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2HTR7RBP4
SCHEMBL15529774 0.78 RXFP1 (0.90) RXFP1
SCHEMBL8341399 0.77 ALDH1A1 (0.56) RXFP1KDM4EALDH1A1SMN1; SMN2HTR7
Hydrochloric Acid SCHEMBL15048947 0.77 ALDH1A1 (0.63) KDM4EALDH1A1SMN1; SMN2HTR7RBP4
SCHEMBL4212045 0.77 LMNA (0.63) KDM4EALDH1A1SMN1; SMN2HTR7LMNA

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-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP claimed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed