SCHEMBL29136456

SCHEMBL29136456

CC(C)(C)[N+]([O-])=Cc1ccccc1.CC(C)(C)[N+]([O-])=Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.35
FBP1 P09467 3/20 0.34
MYC P01106 1/20 0.33
TSHR P16473 3/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
G6PD P11413 1/20 0.30

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
SCHEMBL15216504 0.93 KMT2A (0.38) TDP1ALDH1A1KMT2AMEN1MYC
SCHEMBL1004336 0.93 KMT2A (0.38) TDP1ALDH1A1KMT2AMEN1MYC
SCHEMBL29514984 0.93 KMT2A (0.38) TDP1ALDH1A1KMT2AMEN1MYC
SCHEMBL6449477 0.91 KMT2A (0.38) TDP1ALDH1A1KMT2AMEN1MYC
Sulfuric Acid SCHEMBL27546343 0.86 TDP1 (0.54) TDP1ALDH1A1KMT2AFBP1TSHR
SCHEMBL6260317 0.79 TDP1 (0.59) TDP1ALDH1A1KMT2AFBP1TSHR
SCHEMBL244830 0.79 TDP1 (0.59) TDP1ALDH1A1KMT2AFBP1TSHR
SCHEMBL267779 0.79 TDP1 (0.59) TDP1ALDH1A1KMT2AFBP1TSHR
SCHEMBL13232732 0.79 KMT2A (0.36) TDP1ALDH1A1KMT2AMEN1TSHR
SCHEMBL2799147 0.79 KMT2A (0.36) TDP1ALDH1A1KMT2AMEN1TSHR

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
CN-117120629-A Chemical compositions and methods of use thereof 纳米线科技公司 2023-11-24 CN disclosed