SCHEMBL11787355

SCHEMBL11787355

CC(C)(C)CC(C)(C)N(c1ccccc1)c1ccccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BCAT2 O15382 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
GAA P10253 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CTNNB1 P35222 1/20 0.33

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
SCHEMBL44715 0.76 MEN1 (0.38) KMT2ASMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL3450294 0.73 ESR1 (0.31) KMT2ASMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL871746 0.73 SIGMAR1 (0.44) KMT2AMEN1CYP2C19ALDH1A1MAPT
SCHEMBL2762268 0.72 MAPT (0.46) SIRT2SMN1; SMN2CYP3A4CYP2C19BCAT2
SCHEMBL7093772 0.71 BCAT2 (0.47) SIRT2SMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL7259310 0.71 ALDH1A1 (0.44) SIRT2KMT2ASMN1; SMN2MEN1CYP3A4
SCHEMBL4251059 0.70 ALDH1A1 (0.45) KMT2ASMN1; SMN2MEN1CYP3A4CYP2C9
SCHEMBL10992096 0.70 SIRT1 (0.46) SIRT2SMN1; SMN2CYP3A4CYP2C19BCAT2
SCHEMBL28050368 0.69 NPC1 (0.45) SIRT2KMT2ASMN1; SMN2MEN1BCAT2
SCHEMBL28051317 0.69 BCAT2 (0.42) SIRT2SMN1; SMN2CYP3A4CYP2C19BCAT2

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-3984337-A N-1,1,3,3-TETRAMETHYLBUTYL-2-(1-NAPHTHYLAMINO)BENZAMIDE MOBIL OIL CORPORATION (US) 1976-10-05 US disclosed