SCHEMBL8992145

SCHEMBL8992145

CCc1ccc(CCCOc2c(C)cc(C(N)=NO)cc2C)nn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
PLAU P00749 1/20 0.30
RECQL P46063 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
SCHEMBL8824479 0.90 GAA (0.38) GAARAB9ALMNAMAPTNPC1
SCHEMBL8824453 0.88 GAA (0.36) GAARAB9ALMNAMAPTNPC1
SCHEMBL8824503 0.81 GAA (0.32) GAARAB9ALMNAMAPTNPC1
SCHEMBL8923732 0.81 SCN8A (0.43) GAARAB9ALMNAMAPTNPC1
SCHEMBL8132275 0.80 NR1I2 (0.41) GAARAB9ALMNAMAPTNPC1
SCHEMBL6977621 0.80 GAA (0.37) GAARAB9ALMNAMAPTNPC1
SCHEMBL8921403 0.78 RAB9A (0.40) GAARAB9ALMNAMAPTNPC1
SCHEMBL6981958 0.76 RAB9A (0.35) GAARAB9ALMNAMAPTNPC1
SCHEMBL9090504 0.75 GAA (0.36) GAARAB9ALMNAMAPTNPC1
SCHEMBL8824433 0.74 SCN8A (0.38) GAAMAPTKCNH2CYP1A2

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-5514679-A TREATMENT OF PICORNAVIRUS INFECTIONS STERLING WINTHROP INC. (US) 1996-05-07 US disclosed