SCHEMBL4409690

SCHEMBL4409690

CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
MAPT P10636 8/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
ALDH1A1 P00352 6/20 0.64
TRPV1 Q8NER1 3/20 0.60
GAA P10253 5/20 0.60
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL9695899 0.86 RAB9A (0.75) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7293767 0.80 RAB9A (0.72) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1687778 0.80 RAB9A (0.72) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5174946 0.79 RAB9A (0.75) RAB9AMAPTNPC1SMN1; SMN2TRPV1
SCHEMBL5333874 0.78 NPC1 (0.77) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL27179668 0.77 RAB9A (0.90) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5224127 0.76 RAB9A (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL4486236 0.74 RAB9A (0.80) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL28563049 0.74 TRPV1 (0.59) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL14825198 0.74 ALDH1A1 (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 US disclosed