SCHEMBL6675209

SCHEMBL6675209

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO2 P16083 1/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
MTNR1A P48039 3/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MTNR1B P49286 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6679707 0.83 NQO2 (0.43) NQO2CA12CA1CA2CA9
SCHEMBL7239004 0.82 NQO2 (0.41) FAAHMEN1KMT2ANQO2CA12
SCHEMBL6674478 0.81 ADRA1A (0.45) MEN1KMT2AKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL6679828 0.80 ADRA1A (0.44) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL6681824 0.80 NQO2 (0.39) MEN1KMT2ANQO2CA12CA1
SCHEMBL6681269 0.78 PTPN1 (0.51) FAAHMEN1KMT2ANQO2MTNR1A
SCHEMBL6677827 0.77 NAMPT (0.53) MEN1KMT2ACA12CA1CA2
SCHEMBL6675303 0.77 NQO2 (0.40) KMT2ANQO2MTNR1AKDM4ENPC1
SCHEMBL6675304 0.76 MTNR1A (0.41) NQO2MTNR1AKDM4ENPC1RAB9A
SCHEMBL6675910 0.76 MTNR1A (0.48) NQO2CA12CA1CA2CA9

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