SCHEMBL10478809

SCHEMBL10478809

NC(=O)CN(CCC1CO1)S(=O)(=O)Cc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.37
ERBB2 P04626 5/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
RORC P51449 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TP53 P04637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL10478509 0.90 EGFR (0.34) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10494542 0.81 RORC (0.34) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10478812 0.79 RORC (0.41) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10478499 0.79 CNR2 (0.46) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10478749 0.78 HTR6 (0.38) KMT2AMEN1RORCPARP10
SCHEMBL10478590 0.78 RORC (0.37) KMT2AMEN1RORC
SCHEMBL10478915 0.76 RORC (0.39) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10478578 0.76 EGFR (0.38) EGFRERBB2KMT2AMEN1HTT
SCHEMBL10478772 0.75 S1PR2 (0.41) KMT2AMEN1
SCHEMBL10478673 0.74 EGFR (0.42) EGFRERBB2KMT2APARP15PARP14

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-4885027-A PLANT GROWTH REGULATORS; NONPHYTOTOXIC; PRE- AND POST EMERGENCE CHEVRON RESEARCH COMPANY (US) 1989-12-05 US disclosed