SCHEMBL8339186

SCHEMBL8339186

Cc1ccc(S(=O)(=O)Oc2c(I)ccc(I)c2O)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 1/20 0.32
ATM Q13315 1/20 0.32
ESR2 Q92731 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL28514985 0.76 LMNA (0.50) LMNAMEN1KMT2AESR1ATM
SCHEMBL28134701 0.74 LMNA (0.45) LMNAMEN1KMT2AESR1ATM
SCHEMBL11001698 0.72 KMT2A (0.42) LMNAMEN1KMT2AESR1ESR2
SCHEMBL6230287 0.72 KMT2A (0.43) LMNAMEN1KMT2AESR1ESR2
SCHEMBL24278496 0.70 ALDH1A1 (0.39) MEN1KMT2ACA1CA2CA9
SCHEMBL11003199 0.70 KMT2A (0.44) LMNAMEN1KMT2AESR1ESR2
SCHEMBL6891702 0.68 ALDH1A1 (0.35) LMNAKMT2ACA1CA2CA9
SCHEMBL1919474 0.67 KMT2A (0.44) LMNAMEN1KMT2AESR1ESR2
SCHEMBL31717331 0.67 TRPV4 (0.39) LMNAKMT2ACA1CA2CA9
SCHEMBL4756774 0.66 ALDH1A1 (0.34) LMNAALDH1A1KDM4EPKMMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990122-A SUBSTITUTED IN THE 7-POSITION BY A TRICYCLIC AMINE RADICAL; REDUCED GENOTOXIC PROPERTIES AND INCREASED ANTIBACTERIAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
US-5753669-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed