SCHEMBL26477355

SCHEMBL26477355

Nc1ccc(-c2cc(-c3cccc(OC(F)(F)F)c3)n[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
BTK Q06187 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
NPY5R Q15761 1/20 0.41
ATR Q13535 1/20 0.41
USP7 Q93009 1/20 0.41
SCN9A Q15858 1/20 0.41
RAF1 P04049 1/20 0.40
PRKD1 Q15139 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL26477853 0.90 XDH (0.51) XDHRAB9APOLBKCNH2SCN10A
SCHEMBL14731243 0.82 XDH (0.56) XDHKCNH2SCN10AMAPTBTK
SCHEMBL26478317 0.81 MAPT (0.51) RAB9APOLBKCNH2SCN10ANPC1
SCHEMBL26477359 0.80 RAF1 (0.49) XDHRAB9ANPC1MAPTRAF1
SCHEMBL10357934 0.80 RAB9A (0.65) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL1337217 0.79 TAAR1 (0.52) XDHKCNH2SCN10AADORA2AADORA1
SCHEMBL26464921 0.78 MAPT (0.55) MAPTRAF1ABL1
SCHEMBL1608376 0.77 RAB9A (0.61) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL13315395 0.76 KCNH2 (0.44) XDHRAB9APOLBKCNH2SCN10A
SCHEMBL26467185 0.76 MAPT (0.48) RAB9APOLBKCNH2SCN10ANPC1

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