SCHEMBL6681889

SCHEMBL6681889

CC(C)(C)OC(=O)NCCc1ccc(NC(N)=S)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
NAMPT P43490 1/20 0.43
NQO2 P16083 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6676121 0.88 CA1 (0.46) KMT2ACA2CA1NAMPTNQO2
SCHEMBL6680713 0.86 KMT2A (0.44) KMT2AMEN1CA2CA1NAMPT
SCHEMBL6675049 0.85 KMT2A (0.55) KMT2AMEN1ATMCA2CA1
SCHEMBL27478756 0.84 MEN1 (0.50) KMT2AMEN1ATMCA2CA1
SCHEMBL27564399 0.81 MEN1 (0.43) KMT2AMEN1ATMCA2CA1
SCHEMBL2876045 0.81 NAMPT (0.60) CA2CA1NAMPTMAPTSMN1; SMN2
SCHEMBL6680633 0.81 CA2 (0.49) CA2CA1NAMPTNQO2MAPT
SCHEMBL7248116 0.80 CA1 (0.43) KMT2AMEN1ATMCA2CA1
SCHEMBL17740765 0.79 CA1 (0.47) CA2CA1NAMPTNQO2MAPT
SCHEMBL6675643 0.79 CYP3A4 (0.49) KMT2AMEN1CA2CA1NAMPT

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