SCHEMBL11683076

SCHEMBL11683076

CC1=NN(c2ccccc2S(=O)(=O)O)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.50
NOTUM Q6P988 1/20 0.33
KCNN4 O15554 2/20 0.33
KCNA3 P22001 2/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PGAM1 P18669 1/20 0.31
KMT2A Q03164 2/20 0.31
CASP6 P55212 1/20 0.31
CTSG P08311 1/20 0.31
CMA1 P23946 1/20 0.31
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL11431757 0.82 ALDH1A1 (0.43) MYCLMNAALDH1A1MAPTGAA
SCHEMBL11290209 0.78 KMT2A (0.43) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL8990089 0.76 ALDH1A1 (0.39) LMNAALDH1A1MAPTGAAKMT2A
SCHEMBL11760746 0.75 ALB (0.41) ALDH1A1MAPTKDM4ECYP2C19CYP2D6
SCHEMBL10360503 0.75 SUMO2 (0.38) LMNAPOLBKMT2AMEN1CYP1A2
SCHEMBL8990101 0.74 ALDH1A1 (0.56) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL11299452 0.73 MGLL (0.46) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL9309242 0.73 KAT8 (0.41) LMNAALDH1A1MAPTGAAKDM4E
SCHEMBL3820724 0.71 MAPT (0.44) LMNAALDH1A1MAPTGAAPOLB
SCHEMBL11501543 0.71 MAPT (0.59) MYCLMNAALDH1A1MAPTGAA

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-4058516-A DISAZO DYES SANDOZ LTD. (CH) 1977-11-15 US disclosed