SCHEMBL7864596

SCHEMBL7864596

O=C(OOC(=O)c1cc(S)ccc1[N+](=O)[O-])c1cc(S)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
CASP6 P55212 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
GPR35 Q9HC97 1/20 0.37
TSHR P16473 2/20 0.37
CTSD P07339 1/20 0.37
CYP3A4 P08684 1/20 0.35

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
SCHEMBL27586658 0.88 DTYMK (0.41) DTYMKSIRT6CASP6TDP1ALDH1A1
SCHEMBL3513603 0.87 SIRT6 (0.56) DTYMKSIRT6TDP1ALDH1A1KMT2A
SCHEMBL29706389 0.82 DTYMK (0.62) DTYMKCASP6TDP1ALDH1A1KMT2A
SCHEMBL60481 0.82 DTYMK (0.62) DTYMKCASP6TDP1ALDH1A1KMT2A
SCHEMBL23096734 0.82 DTYMK (0.45) DTYMKCASP6TDP1ALDH1A1MAPT
SCHEMBL7058241 0.81 MAPT (0.47) DTYMKCASP6TDP1ALDH1A1KMT2A
SCHEMBL8582179 0.79 DTYMK (0.46) DTYMKCASP6TDP1ALDH1A1KMT2A
SCHEMBL4977817 0.77 ALDH1A1 (0.40) DTYMKSIRT6ALDH1A1KMT2AMEN1
SCHEMBL28713313 0.77 DTYMK (0.44) DTYMKCASP6TDP1ALDH1A1KMT2A
SCHEMBL6551442 0.74 ALDH1A1 (0.61) TDP1ALDH1A1KMT2AMEN1MAPT

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-6307018-B1 TWO OLIGOPEPTIDES ARE LIGATED TO FORM A LIGATION PRODUCT HAVING AN AMINOTHIOESTER LINKAGE; IN A SECOND STEP, THE AMINOTHIOESTER LINKAGE REARRANGES TO FORM A PRODUCT HAVING AN N-SUBSTITUTED AMIDE LINKAGE THE SCRIPPS RESEARCH INSTITUTE 2001-10-23 US disclosed