SCHEMBL2647267

SCHEMBL2647267

COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.63
HTT P42858 5/20 0.63
LMNA P02545 4/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 2/20 0.60
ANO1 Q5XXA6 1/20 0.55
GCGR P47871 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1C Q13936 1/20 0.52
SCN5A Q14524 1/20 0.52
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2647658 0.85 SMN1; SMN2 (0.63) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL2647305 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL22159634 0.83 ROCK2 (0.58) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL11419693 0.81 MAPT (0.70) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL15741784 0.78 IMPDH2 (0.76) SMN1; SMN2HTTLMNA
SCHEMBL15848539 0.77 KMT2A (0.69) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL4316986 0.76 KMT2A (0.60) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL7611403 0.76 MEN1 (1.00) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL1581301 0.76 EPHX2 (0.61) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL8371719 0.75 MAPT (0.60) SMN1; SMN2HTTLMNAKMT2AMEN1

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
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed