SCHEMBL2647658

SCHEMBL2647658

COC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 4/20 0.63
HTT P42858 4/20 0.63
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.58
GCGR P47871 1/20 0.52
MCHR1 Q99705 1/20 0.50
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
MAPK8 P45983 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL2647267 0.85 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL2647305 0.84 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL15848539 0.82 KMT2A (0.69) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4253877 0.81 POLB (0.64) LMNAHTTKMT2AMEN1MAPT
SCHEMBL11419693 0.81 MAPT (0.70) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL22159634 0.81 ROCK2 (0.58) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL15741784 0.78 IMPDH2 (0.76) SMN1; SMN2LMNAHTT
SCHEMBL2655352 0.77 KDM4E (0.45) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL4316986 0.76 KMT2A (0.60) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL16632043 0.76 MEN1 (0.54) SMN1; SMN2LMNAHTTKMT2AMEN1

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