SCHEMBL22019991

SCHEMBL22019991

Cc1c(Br)c(CC(F)(F)F)nc2c1CCC2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 2/20 0.31
ACHE P22303 1/20 0.31
BPTF Q12830 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22020056 0.85 KMT2A (0.36) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL21963147 0.81 ACHE (0.46) KMT2AMEN1MAPK1ACHEBPTF
SCHEMBL22019780 0.80 KMT2A (0.36) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL21963362 0.78 ACHE (0.46) KMT2AMEN1KDM4EMAPK1ACHE
SCHEMBL22019989 0.78 KMT2A (0.34) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL22020718 0.76 SMN1; SMN2 (0.43) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL22021511 0.72 KDM4E (0.42) KMT2AMEN1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL21963168 0.70 ACHE (0.43) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL19272311 0.67 ACHE (0.54) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL22019708 0.66 SMN1; SMN2 (0.46) KMT2AMEN1KDM4EMAPTTDP1

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