SCHEMBL7635962

SCHEMBL7635962

CC(C)(C)c1ccc(C(=O)Nc2ccn(CC(=O)O)c(=O)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.48
MAP3K5 Q99683 10/20 0.46
MAPT P10636 3/20 0.46
NR1H4 Q96RI1 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL452423 0.86 KMT2A (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7528362 0.84 ADORA3 (0.51) DEGS1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8299962 0.78 MEN1 (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7874477 0.78 MAPT (0.48) MAPTNPC1RAB9A
SCHEMBL22672647 0.76 MEN1 (0.54) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7263673 0.75 FPR2 (0.47) DEGS1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL454099 0.74 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27057456 0.72 KMT2A (0.50) MAP3K5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13377765 0.72 MAP3K5 (0.38) DEGS1MAP3K5MAPTNR1H4NPC1
SCHEMBL4015642 0.71 NPC1 (0.73) DEGS1MAP3K5MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384749-B2 Electrodes linked via conductive oligomers to nucleic acids CLINICAL MICRO SENSORS, INC. (US) 2008-06-10 US disclosed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed