SCHEMBL22019778

SCHEMBL22019778

CCc1nc2c(c(C)c1C1CC1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EHMT2 Q96KQ7 3/20 0.32
ACHE P22303 4/20 0.32
MAPK1 P28482 2/20 0.32
BPTF Q12830 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
EEF2K O00418 1/20 0.31
TSHR P16473 3/20 0.31
PKM P14618 1/20 0.30
POLB P06746 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL24978510 0.84 MEN1 (0.37) MEN1KMT2AKDM4EGAACYP1A2
SCHEMBL21963080 0.83 ACHE (0.46) MEN1KMT2AKDM4EACHEMAPK1
SCHEMBL22019727 0.80 MEN1 (0.35) MEN1KMT2AKDM4EGAACYP1A2
SCHEMBL24977974 0.80 MEN1 (0.35) MEN1KMT2AKDM4EGAACYP1A2
SCHEMBL22019726 0.80 KDM4E (0.39) MEN1KMT2AKDM4ECYP1A2ACHE
SCHEMBL22020067 0.78 KDM4E (0.36) MEN1KMT2AKDM4ECYP1A2ACHE
SCHEMBL22019776 0.74 KDM4E (0.33) MEN1KMT2AKDM4EGAACYP1A2
SCHEMBL22019783 0.73 SMN1; SMN2 (0.40) MEN1KMT2AKDM4ECYP1A2HSD17B10
SCHEMBL22019725 0.71 CYP1A2 (0.33) MEN1KMT2AKDM4EGAACYP1A2
SCHEMBL24162734 0.71 ACHE (0.43) MEN1KMT2AGAAACHEMAPK1

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-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed