SCHEMBL28535538

SCHEMBL28535538

C#CCn1c(=O)c(C(CS(=O)(=O)c2ccccc2)c2ccccc2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 5/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 4/20 0.35
PTBP1 P26599 2/20 0.34

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
SCHEMBL28535546 0.86 KDM4E (0.50) SMN1; SMN2LMNARAB9ATP53MAPT
SCHEMBL28551931 0.80 ALDH1A1 (0.54) SMN1; SMN2LMNATP53MAPTTDP1
SCHEMBL28537502 0.78 MAPT (0.47) SMN1; SMN2LMNARAB9ATP53MAPT
SCHEMBL28547674 0.77 CFTR (0.44) LMNAPOLBALDH1A1MAPK1KDM4E
SCHEMBL28542045 0.77 HSD11B1 (0.48) LMNAKMT2APOLBALDH1A1MAPK1
SCHEMBL28546377 0.75 MAPK1 (0.45) SMN1; SMN2LMNATP53TDP1MEN1
SCHEMBL28542974 0.74 TDP1 (0.40) SMN1; SMN2LMNAMAPTTDP1MEN1
SCHEMBL28547606 0.74 KMT2A (0.39) SMN1; SMN2LMNAMAPTTDP1MEN1
SCHEMBL28537517 0.72 KDM4E (0.44) SMN1; SMN2LMNATP53MAPTMEN1
SCHEMBL28458600 0.69 KDM4E (0.57) SMN1; SMN2LMNATP53MAPTTDP1

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-112457263-A Novel method for synthesizing aryl sulfone derivative 桂林理工大学 2021-03-09 CN disclosed