SCHEMBL11522307

SCHEMBL11522307

O=[N+]([O-])c1cc(Oc2ccccc2)ccc1N=S(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TLR4 O00206 3/20 0.41
TLR2 O60603 3/20 0.41
XDH P47989 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
FFAR1 O14842 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SOS1 Q07889 1/20 0.39
PIN1 Q13526 2/20 0.39
PGR P06401 1/20 0.38
HPSE Q9Y251 1/20 0.38
HTT P42858 1/20 0.38
HTR6 P50406 1/20 0.37
CHEK2 O96017 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL28058401 0.82 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL10717379 0.79 ALDH1A1 (0.55) KDM4EALDH1A1TLR4TLR2XDH
SCHEMBL11103328 0.77 KDM4E (0.46) KDM4EALDH1A1TLR4TLR2XDH
SCHEMBL27781910 0.75 KDM4E (0.50) KDM4EALDH1A1TLR4TLR2XDH
SCHEMBL2271210 0.75 SMN1; SMN2 (0.54) KDM4EALDH1A1TLR4TLR2XDH
SCHEMBL1602832 0.75 MAPK1 (0.51) KDM4EALDH1A1TLR4TLR2XDH
SCHEMBL476349 0.75 ALDH1A1 (0.58) KDM4EALDH1A1TLR4TLR2MEN1
SCHEMBL1128959 0.75 VCAM1 (0.53) KDM4EALDH1A1TLR4TLR2MEN1
SCHEMBL11692257 0.73 TSHR (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11067702 0.73 HTR6 (0.57) KDM4EALDH1A1TLR4TLR2MEN1

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-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed