SCHEMBL7355388

SCHEMBL7355388

O=C(O)CCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
CPB1 P15086 1/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
FOLH1 Q04609 3/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
TGM2 P21980 1/20 0.42
MGLL Q99685 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL7359305 0.92 HTT (0.69) HTTCPB1LMNASMN1; SMN2KMT2A
SCHEMBL14628582 0.91 HTT (0.64) HTTCPB1LMNASMN1; SMN2KEAP1
SCHEMBL7318682 0.91 HTT (0.64) HTTCPB1LMNASMN1; SMN2KEAP1
SCHEMBL14598314 0.91 HTT (0.64) HTTCPB1LMNASMN1; SMN2KEAP1
SCHEMBL12294705 0.91 HTT (0.49) HTTCPB1LMNASMN1; SMN2KMT2A
SCHEMBL8029846 0.90 HTT (0.62) HTTLMNASMN1; SMN2KMT2AKEAP1
SCHEMBL7319378 0.90 HTT (0.62) HTTLMNASMN1; SMN2KMT2AKEAP1
SCHEMBL989685 0.88 TGM2 (0.55) HTTLMNASMN1; SMN2KMT2AKEAP1
SCHEMBL5097623 0.87 LMNA (0.50) HTTLMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL13622435 0.87 LMNA (0.49) HTTLMNASMN1; SMN2KMT2AKEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
EP-0646573-A1 Preparation of protected and unprotected guanidino-substituted carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed