SCHEMBL7224293

SCHEMBL7224293

CC(C)c1cccc(C(C)(C)C)c1NC(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SOAT1 P35610 3/20 0.45
SOAT2 O75908 2/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL3408925 0.86 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL7224403 0.86 NLRP3 (0.43) SMN1; SMN2KMT2AMEN1TDP1LMNA
SCHEMBL7225295 0.86 SMN1; SMN2 (0.75) SMN1; SMN2KMT2AMEN1TDP1SOAT1
Benzene SCHEMBL9851028 0.85 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL7223579 0.81 NLRP3 (0.56) KMT2AMEN1LMNAMAPTNLRP3
SCHEMBL15804674 0.81 KMT2A (0.59) SMN1; SMN2KMT2AMEN1TDP1SOAT1
SCHEMBL7223730 0.79 ALOX15 (0.52) SMN1; SMN2TDP1LMNAKDM4EMAPT
SCHEMBL7218234 0.79 L3MBTL1 (0.46) KMT2AMEN1TDP1LMNAKDM4E
SCHEMBL7223137 0.77 NAMPT (0.41) KMT2AMEN1LMNAKDM4ENLRP3
SCHEMBL7219696 0.76 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1TDP1LMNA

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed