SCHEMBL22019724

SCHEMBL22019724

Cc1c2c(nc(C(F)(F)F)c1-c1ccccc1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
LMNA P02545 1/20 0.54
HSD17B10 Q99714 6/20 0.44
FPR1 P21462 1/20 0.44
KDM4E B2RXH2 9/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADORA2A P29274 1/20 0.43
ACHE P22303 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL22019961 0.83 LMNA (0.49) MAPK1LMNAHSD17B10FPR1KDM4E
SCHEMBL30162655 0.83 ACHE (0.54) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL22020129 0.83 ACHE (0.54) MAPK1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL24978509 0.82 LMNA (0.48) MAPK1LMNAHSD17B10FPR1KDM4E
SCHEMBL22019757 0.80 KDM4E (0.50) MAPK1LMNAHSD17B10FPR1KDM4E
SCHEMBL22019708 0.76 SMN1; SMN2 (0.46) MAPK1LMNAHSD17B10KDM4EMAPT
SCHEMBL22020718 0.72 SMN1; SMN2 (0.43) MAPK1LMNAHSD17B10KDM4EMAPT
SCHEMBL30162346 0.72 TDP1 (0.39) MAPK1LMNAKDM4EMAPTALDH1A1
SCHEMBL24977979 0.72 MAPK1 (0.39) MAPK1LMNAHSD17B10FPR1KDM4E
SCHEMBL22020719 0.70 SMN1; SMN2 (0.41) MAPK1LMNAHSD17B10KDM4EMAPT

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