SCHEMBL20514958

SCHEMBL20514958

O=C(O)CCC(NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.53
MME P08473 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
LMNA P02545 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46

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
SCHEMBL20514959 1.00 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTALDH1A1MME
SCHEMBL9386073 0.86 KMT2A (0.55) SMN1; SMN2L3MBTL1HTTALDH1A1NAALAD2
SCHEMBL6136662 0.85 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1LMNA
SCHEMBL6136656 0.85 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1LMNA
SCHEMBL6136290 0.85 FNTA (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1SIGMAR1
SCHEMBL6136285 0.85 FNTA (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1SIGMAR1
SCHEMBL6136282 0.85 FNTA (0.60) SMN1; SMN2L3MBTL1HTTALDH1A1SIGMAR1
SCHEMBL6567538 0.81 NAALAD2 (0.66) NAALAD2MEN1KMT2A
SCHEMBL27694707 0.81 NAALAD2 (0.66) NAALAD2MEN1KMT2A
SCHEMBL6567542 0.81 NAALAD2 (0.66) NAALAD2MEN1KMT2A

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
EP-3381898-A1 SYMMETRICAL TRIS-ARYL-AMIDE DERIVATIVES AND THEIR USE AS ANTI-HEPARANASE Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed