SCHEMBL7224362

SCHEMBL7224362

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
SCN3A Q9NY46 3/20 0.49
LMNA P02545 3/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALOX15 P16050 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
MC4R P32245 1/20 0.49
SCN4A P35499 1/20 0.49
MC3R P41968 1/20 0.49
HTR3A P46098 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
BLM P54132 2/20 0.48

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
SCHEMBL7218460 0.89 KMT2A (0.47) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL7223579 0.87 NLRP3 (0.56) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL7224255 0.86 SCN3A (0.49) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL3442560 0.81 MAPT (0.64) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL7224403 0.77 NLRP3 (0.43) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL25530430 0.76 NLRP3 (0.60) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL7224186 0.75 SCN3A (0.47) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL22407655 0.74 MAPT (0.51) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL11759475 0.74 MAPT (0.51) KMT2AMEN1MAPTSCN3ALMNA
SCHEMBL7223730 0.74 ALOX15 (0.52) MAPTLMNAALOX15ALDH1A1SCN5A

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