SCHEMBL18804652

SCHEMBL18804652

O=C(O)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
TDP1 Q9NUW8 4/20 0.65
KDM4E B2RXH2 3/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 8/20 0.61
MAPT P10636 5/20 0.57
HTT P42858 3/20 0.57
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
HSP90AA1 P07900 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PKM P14618 2/20 0.55
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL12807419 0.87 KMT2A (0.65) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL10029446 0.87 KMT2A (0.65) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL18804649 0.86 LMNA (0.67) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL28413362 0.86 LMNA (0.67) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL10027947 0.85 MEN1 (0.78) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL6636064 0.85 MEN1 (0.78) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL6636069 0.85 MEN1 (0.78) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL6635840 0.84 MEN1 (0.72) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL6635837 0.84 MEN1 (0.72) MEN1KMT2ATDP1KDM4ELMNA
SCHEMBL18804653 0.81 KMT2A (0.72) MEN1KMT2ATDP1KDM4ELMNA

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
WO-2017171657-A1 A DEVICE FOR DETECTION OF AN ACRYLOYL GROUP AND A METHOD THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-05 WO disclosed
US-20170121752-A1 DETECTION OF ACRYLIC ACID AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-05-04 US disclosed