SCHEMBL6677029

SCHEMBL6677029

CNC(=O)c1cc(S(=O)(=O)c2ccc(CCOC(N)=O)cc2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA3 P22001 1/20 0.41
S1PR1 P21453 1/20 0.41
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
C5AR1 P21730 1/20 0.40
BRD4 O60885 1/20 0.39
FOLH1 Q04609 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL6677469 0.84 POLB (0.50) LRRK2MEN1KMT2APOLBLMNA
SCHEMBL6267075 0.77 KMT2A (0.53) LRRK2MEN1KMT2APOLBLMNA
SCHEMBL6800832 0.77 HDAC1 (0.42) LRRK2MEN1KMT2AKCNA3CA2
SCHEMBL6269080 0.77 HTR6 (0.50) LRRK2MEN1KMT2APOLBLMNA
SCHEMBL6267894 0.76 KMT2A (0.51) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL6332076 0.75 CA12 (0.56) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL3148800 0.74 L3MBTL1 (0.56) LRRK2MEN1KMT2APOLBLMNA
SCHEMBL6271745 0.73 LMNA (0.53) MEN1KMT2ALMNAMAPK1RAB9A
SCHEMBL6274320 0.73 KMT2A (0.46) MEN1KMT2APOLBLMNAMAPK1
SCHEMBL6268955 0.73 MEN1 (0.53) LRRK2MEN1KMT2ALMNAMAPK1

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-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed