SCHEMBL5799865

SCHEMBL5799865

O=C(O)C(Cc1ccc([N+](=O)[O-])cc1)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CA2 P00918 1/20 0.42
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
MMP2 P08253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5577227 0.84 MEN1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9543049 0.75 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2747548 0.74 MEN1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8268827 0.72 SLC1A1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7141466 0.71 CYP1A2 (0.67) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3091161 0.70 TSHR (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10436410 0.69 CPA1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8102675 0.69 GSK3B (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6810144 0.69 KMT2A (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6810226 0.69 KMT2A (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
WO-2006047251-A2 3-ALKYLARYL ASPARTATE COMPOUNDS AND THEIR USE FOR SELECTIVE ENHANCEMENT OF SYNAPTIC TRANSMISSION THE UNIVERSITY OF MONTANA (US) 2006-05-04 WO disclosed