SCHEMBL26478317

SCHEMBL26478317

CCOc1cccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)[nH]n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 1/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
S1PR1 P21453 1/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALPL P05186 1/20 0.42
NTRK1 P04629 1/20 0.42
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
POLB P06746 1/20 0.41
PRKD1 Q15139 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL26467185 0.95 MAPT (0.48) MAPTGAARAB9ANPC1MAPK1
SCHEMBL8891567 0.85 MAPT (0.60) MAPTGAARAB9ANPC1MAPK1
SCHEMBL10357934 0.81 RAB9A (0.65) MAPTRAB9ANPC1MAPK1TP53
SCHEMBL26477355 0.81 XDH (0.51) MAPTRAB9ANPC1MAPK1KCNH2
SCHEMBL26477853 0.76 XDH (0.51) MAPTRAB9AKCNH2SCN10APOLB
SCHEMBL1181309 0.74 RAB9A (0.77) MAPTGAARAB9ANPC1MAPK1
SCHEMBL26477359 0.74 RAF1 (0.49) MAPTRAB9ANPC1TP53PRKD1
SCHEMBL17279915 0.74 CYP2D6 (0.62) MAPTRAB9ANPC1MAPK1ALPL
SCHEMBL31660140 0.74 MAPT (0.54) MAPTGAARAB9ANPC1MAPK1
SCHEMBL26093604 0.74 MAPT (0.54) MAPTGAARAB9ANPC1MAPK1

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-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed