SCHEMBL6202694

SCHEMBL6202694

O=C(OCc1ccccc1)N1CC[N]CCN(C(=O)OCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CYP2C19 P33261 1/20 0.59
GRIN2B Q13224 9/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 3/20 0.49
OPRD1 P41143 1/20 0.48
OPRK1 P41145 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
SCHEMBL42127 0.98 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5542597 0.93 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6199902 0.90 KMT2A (0.82) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.89 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.89 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.85 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-1381392-A4 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORP (KR) 2005-03-23 EP disclosed
EP-1381392-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS Corporation (KR) 2004-01-21 EP disclosed
WO-2002085413-A1 SYNTHETIC CATALYST FOR SELECTIVE CLEAVAGE OF PROTEIN AND METHOD FOR SELECTIVE CLEAVAGE OF PROTEIN USING THE SAME TS CORPORATION (KR) 2002-10-31 WO disclosed