SCHEMBL28201172

SCHEMBL28201172

CC(CC(C)C(=O)O)NC(=O)c1cnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.38
NAALAD2 Q9Y3Q0 3/20 0.36
FOLH1 Q04609 2/20 0.36
MMEL1 Q495T6 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
HCAR3 P49019 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
MLYCD O95822 1/20 0.31
KMT2A Q03164 2/20 0.31
ACE P12821 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28200545 0.80 NAALAD2 (0.37) NAALAD2ADORA3ADORA2AADORA2BADORA1
SCHEMBL28108424 0.74 FPR2 (0.41) MMEFOLH1HCAR3GRNSORT1
SCHEMBL13446576 0.74 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1HCAR3
SCHEMBL28108413 0.72 L3MBTL1 (0.41) KMT2AL3MBTL1POLB
SCHEMBL28108429 0.71 MMEL1 (0.37) MMENAALAD2FOLH1MMEL1GRN
SCHEMBL28201169 0.69 NAALAD2 (0.35) NAALAD2ADORA3ADORA2AADORA2BADORA1
SCHEMBL30568662 0.69
SCHEMBL13446570 0.69
SCHEMBL25060915 0.67
SCHEMBL15997875 0.66 KDM4E (0.44) MMENAALAD2FOLH1MMEL1GRN

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
CN-104520277-B Enkephalinase inhibitors 施万生物制药研发IP有限责任公司 2018-01-19 CN disclosed