SCHEMBL19686901

SCHEMBL19686901

Cc1cc(NC2CCC(F)(F)CC2)nc(-c2ccccccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
IDH1 O75874 4/20 0.48
GBA1 P04062 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
ABCC1 P33527 6/20 0.47
FFAR1 O14842 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
IGF1R P08069 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
SCHEMBL19686519 0.82 IDH1 (0.72) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL16391863 0.80 GBA1 (0.48) ABCG2MEN1KMT2AIDH1GBA1
SCHEMBL19686326 0.80 IDH1 (0.71) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL21165927 0.79 IDH1 (0.45) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL23813325 0.78 IDH1 (0.58) IDH1GBA1
SCHEMBL19686301 0.78 IDH1 (0.56) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL19686970 0.78 IDH1 (0.45) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL19686338 0.78 IDH1 (0.51) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL19686518 0.77 IDH1 (0.45) LMNAMEN1KMT2ATDP1IDH1
SCHEMBL31127196 0.77 IDH1 (0.43) LMNAMEN1KMT2ATDP1IDH1

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-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed