SCHEMBL7242006

SCHEMBL7242006

CCNC(=NC)Nc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.38
REN P00797 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HTT P42858 1/20 0.31
PDK1 Q15118 3/20 0.31
PDK2 Q15119 3/20 0.31
PDK3 Q15120 3/20 0.31
PDK4 Q16654 3/20 0.31
MAPT P10636 2/20 0.30
GRM2 Q14416 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6677282 0.89 POLB (0.34) LMNAPOLBHTTGRM2GAA
SCHEMBL6675968 0.85 GPR35 (0.39) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6675971 0.81 CACNA1C (0.43) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6678098 0.79 GPR35 (0.39) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6680745 0.78 GAA (0.33) MEN1KMT2ALMNAPOLBHTT
SCHEMBL7242001 0.77 GPR35 (0.38) GPR35RENMEN1KMT2AMAPK1
SCHEMBL6674967 0.77 GRM2 (0.38) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL6675213 0.76 PNMT (0.39) GPR35MEN1KMT2ALMNANOS3
SCHEMBL6676278 0.76 REN (0.37) GPR35RENMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6684653 0.75 PNMT (0.38) GPR35MEN1KMT2ALMNANOS3

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
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