SCHEMBL6681269

SCHEMBL6681269

COc1ccc([N+](=O)[O-])c(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
FAAH O00519 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NQO2 P16083 2/20 0.45
MTNR1A P48039 4/20 0.45
MTNR1B P49286 3/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL891344 0.83 MAPT (0.54) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL6682212 0.83 NQO2 (0.53) PTPN1MEN1KMT2ASMN1; SMN2NQO2
SCHEMBL30408678 0.83 NQO2 (0.53) PTPN1MEN1KMT2ASMN1; SMN2NQO2
SCHEMBL29814877 0.82 MTNR1A (0.59) MEN1KMT2ASMN1; SMN2NQO2MTNR1A
SCHEMBL5981610 0.81 MTNR1A (0.48) NQO2MTNR1AMTNR1B
SCHEMBL3152901 0.81 MTNR1A (0.48) SMN1; SMN2NQO2MTNR1AMTNR1BNPC1
SCHEMBL6675910 0.81 MTNR1A (0.48) SMN1; SMN2NQO2MTNR1AMTNR1BNPC1
SCHEMBL7261722 0.80 MTNR1A (0.50) MEN1KMT2ASMN1; SMN2NQO2MTNR1A
SCHEMBL7239004 0.79 NQO2 (0.41) FAAHMEN1KMT2ANQO2MTNR1A
SCHEMBL17934172 0.78 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2MAPTNPC1

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