SCHEMBL6685945

SCHEMBL6685945

Cc1cc(CCNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.50
CA1 P00915 5/20 0.50
NAMPT P43490 1/20 0.46
PTGER4 P35408 1/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NQO2 P16083 1/20 0.44
SKP2 Q13309 1/20 0.44
CNR1 P21554 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL14431419 0.89 CA2 (0.52) CA2CA1NAMPTPTGER4MAPT
SCHEMBL17661299 0.86 CA2 (0.50) CA2CA1NAMPTPTGER4MAPT
SCHEMBL31431173 0.86 HDAC1 (0.47) CA2CA1NAMPT
SCHEMBL6680633 0.85 CA2 (0.49) CA2CA1NAMPTPTGER4MAPT
SCHEMBL6677541 0.85 CA2 (0.49) CA2CA1NAMPTMAPTTDP1
SCHEMBL7239692 0.85 CA2 (0.49) CA2CA1NAMPTPTGER4MAPT
SCHEMBL3698093 0.85 ESRRG (0.53) CA2CA1NAMPTPTGER4MAPT
SCHEMBL6678480 0.84 CA1 (0.50) CA2CA1NAMPTMAPTLMNA
SCHEMBL27384304 0.84 CA2 (0.48) CA2CA1NAMPTPTGER4MAPT
SCHEMBL17740765 0.84 CA1 (0.47) CA2CA1NAMPTPTGER4MAPT

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