SCHEMBL5498288

SCHEMBL5498288

NNC(=O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.60
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
LOXL2 Q9Y4K0 1/20 0.54
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
GSK3B P49841 1/20 0.51
MIF P14174 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
FLT3 P36888 1/20 0.46
IDO1 P14902 1/20 0.45
MAPT P10636 1/20 0.45
DAO P14920 1/20 0.45
HPGD P15428 1/20 0.45
SRD5A2 P31213 1/20 0.45

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
SCHEMBL30730349 1.00 NLRP3 (0.60) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL17327742 0.84 NLRP3 (0.60) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL8889131 0.83 NLRP3 (0.59) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL27578457 0.81 SIRT1 (0.64) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL630523 0.81 SIRT1 (0.64) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL7809771 0.81 NLRP3 (0.78) NLRP3KDM4ELOXL2MTNR1AMTNR1B
SCHEMBL3451201 0.81 LOXL2 (0.58) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL5462809 0.81 NLRP3 (0.57) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL12831379 0.80 NLRP3 (0.48) NLRP3KDM4EALDH1A1GAAMAPK1
SCHEMBL24852540 0.80 KDM4E (0.59) KDM4EALDH1A1GAAMAPK1MAPT

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
EP-0967484-B1 METHODS FOR DETECTING OR ASSAYING VIRUS ADVANCED LIFE SCIENCE INST INC (JP) 2007-05-02 EP claimed
CN-114176073-A Surface-modifiable nanogel pesticide carrier and construction method thereof 西南大学 2022-03-15 CN disclosed