SCHEMBL8558817

SCHEMBL8558817

Cc1cc(C(N)=NO)cc(C)c1OCCCc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNA5 P22460 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
NR1I2 O75469 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6981958 0.81 RAB9A (0.35) GAARAB9ALMNANPC1TP53
SCHEMBL6977621 0.80 GAA (0.37) GAARAB9ALMNANPC1TP53
SCHEMBL8921403 0.78 RAB9A (0.40) GAARAB9AF2LMNANPC1
SCHEMBL9089532 0.77 PARP15 (0.36) GAARAB9ALMNANPC1TP53
SCHEMBL8800873 0.77 THRA (0.33) GAARAB9ALMNANPC1TP53
SCHEMBL9090606 0.76 GAA (0.35) GAARAB9ALMNANPC1TP53
SCHEMBL8138668 0.76 NR1I2 (0.54) GAARAB9ALMNANPC1TP53
SCHEMBL8923732 0.76 SCN8A (0.43) GAARAB9ALMNANPC1TP53
SCHEMBL9090504 0.75 GAA (0.36) GAARAB9ALMNANPC1TP53
SCHEMBL8924199 0.74 SCN8A (0.46) F2KMT2AL3MBTL1CYP3A4CYP2D6

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
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed