SCHEMBL6679753

SCHEMBL6679753

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
GLS O94925 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 4/20 0.35
BTK Q06187 2/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
HTR2C P28335 2/20 0.34
SLC6A4 P31645 2/20 0.34
BMX P51813 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 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
SCHEMBL6674712 0.89 ALDH1A1 (0.36) LMNAPOLBMAPTALDH1A1HPGD
SCHEMBL6676282 0.80 KCNA5 (0.41) LMNAPOLBHPGDALOX12KMT2A
SCHEMBL6676214 0.79 MAPT (0.44) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL6681404 0.78 ESR1 (0.41) GLSALDH1A1HTR2CSLC6A4HSD17B10
SCHEMBL6679750 0.78 NQO2 (0.50) LMNAPOLBALDH1A1HPGDKMT2A
SCHEMBL6680966 0.77 ALDH1A1 (0.36) LMNAPOLBGLSALDH1A1HTR2C
SCHEMBL7247906 0.77 LMNA (0.34) LMNAPOLBGLSMAPTALDH1A1
SCHEMBL27494018 0.77 CRHBP (0.40) LMNAMAPTALDH1A1HPGDALOX12
SCHEMBL7238099 0.76 GLS (0.46) POLBGLSALDH1A1KMT2AGAA
SCHEMBL6678098 0.76 GPR35 (0.39) ALDH1A1KMT2A

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