SCHEMBL22020719

SCHEMBL22020719

CCc1c(C(F)(F)F)nc2c(c1C)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
CRHR1 P34998 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 3/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL24977994 0.87 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL21963150 0.83 ACHE (0.46) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22019708 0.81 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22019780 0.78 KMT2A (0.36) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22020718 0.77 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22020720 0.76 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL22010514 0.73 ACHE (0.50) SMN1; SMN2L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL30162576 0.73 ACHE (0.50) SMN1; SMN2L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL22019783 0.73 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1KDM4EHSD17B10TSHR
SCHEMBL24978509 0.73 LMNA (0.48) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1

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