SCHEMBL18456567

SCHEMBL18456567

COc1ccc(-c2csc(NC(=O)CCC=O)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ LMNA P02545 2/20 0.77
▸ MAPT P10636 4/20 0.68
▸ NPC1 O15118 3/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ TP53 P04637 1/20 0.68
▸ ACHE P22303 2/20 0.67
▸ HDAC3 O15379 2/20 0.66
▸ HDAC4 P56524 2/20 0.66
▸ HDAC1 Q13547 2/20 0.66
▸ HDAC7 Q8WUI4 2/20 0.66
▸ HDAC2 Q92769 2/20 0.66
▸ HDAC10 Q969S8 2/20 0.66
▸ HDAC11 Q96DB2 2/20 0.66
▸ HDAC8 Q9BY41 2/20 0.66
▸ HDAC6 Q9UBN7 2/20 0.66
▸ HDAC9 Q9UKV0 2/20 0.66
▸ HDAC5 Q9UQL6 2/20 0.66

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
SCHEMBL7371597 0.91 HDAC1 (0.73) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL14085827 0.84 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL14102524 0.82 MAPT (0.80) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL10922779 0.81 GSTO1 (0.74) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL10814398 0.81 MEN1 (0.83) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL7372289 0.81 HDAC1 (0.81) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL7371050 0.81 HDAC1 (0.81) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL21484832 0.80 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL28199635 0.80 RAB9A (0.72) SMN1; SMN2RAB9ALMNAMAPTNPC1
SCHEMBL11137982 0.78 MEN1 (0.70) SMN1; SMN2RAB9ALMNAMAPTNPC1

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-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — WO disclosed
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