SCHEMBL6676005

SCHEMBL6676005

Cc1c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc1NC(=N)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
NQO2 P16083 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
REN P00797 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6676278 0.88 REN (0.37) LMNANQO2MAPK1RENMAPT
SCHEMBL6676761 0.82 POLB (0.35) LMNAPOLBNQO2ALDH1A1HDAC3
SCHEMBL6677280 0.81 LMNA (0.34) LMNAPOLBALDH1A1HDAC3HDAC1
SCHEMBL6674712 0.80 ALDH1A1 (0.36) LMNAPOLBALDH1A1HTTMAPT
SCHEMBL6677585 0.77 BACE1 (0.40) LMNAHDAC3HDAC1HDAC2NCOR2
SCHEMBL6676767 0.76 CACNA1C (0.43) LMNAPOLBALDH1A1HDAC3HDAC1
SCHEMBL6677282 0.76 POLB (0.34) LMNAPOLBNQO2ALDH1A1HDAC3
SCHEMBL6677666 0.72 ESR1 (0.42) NQO2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL6688371 0.72 KDM4E (0.41) LMNAALDH1A1MAPK1HTTMAPT
SCHEMBL7385138 0.71 MRGPRX4 (0.42) ALDH1A1HTTTSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed