SCHEMBL6676265

SCHEMBL6676265

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(CCNC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
CA1 P00915 4/20 0.40
PTGER4 P35408 1/20 0.40
NAMPT P43490 2/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PARP1 P09874 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
SCHEMBL6675284 0.89 ESRRG (0.42) CA2CA1PTGER4NAMPTMAPT
SCHEMBL8771747 0.89 CA2 (0.39) CA2CA1PTGER4NAMPTMAPT
SCHEMBL6682001 0.89 CA1 (0.41) CA2CA1NAMPTMAPTALDH1A1
SCHEMBL6676118 0.85 CA2 (0.47) CA2CA1PTGER4NAMPTMAPT
SCHEMBL6675306 0.81 NQO2 (0.38) CA2CA1MAPTNQO2KDM4E
SCHEMBL6676127 0.78 CA2 (0.44) CA2CA1PTGER4NAMPTMAPT
SCHEMBL6674730 0.76 ACHE (0.34) GLALMNAKDM4E
SCHEMBL6687614 0.76 IDO1 (0.41) CA2CA1MAPTNQO2ALDH1A1
SCHEMBL6681075 0.76 NQO2 (0.39) CA2CA1MAPTNQO2ALDH1A1
Hydrochloric Acid SCHEMBL8771569 0.76 ACHE (0.34) MAPTTDP1GLAKMT2ALMNA

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 2 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
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed