SCHEMBL7878669

SCHEMBL7878669

CCOc1c(N)ccc(Cl)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
HDAC1 Q13547 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPKAPK2 P49137 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
KDM4A O75164 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7883263 0.88 HDAC1 (0.41) HDAC1L3MBTL1MAPKAPK2KDM4ALMNA
SCHEMBL27530730 0.83 POLB (0.41) POLBMAPK1ATMHDAC1L3MBTL1
SCHEMBL14907839 0.78 POLB (0.53) POLBMAPK1ATMHDAC1MAPKAPK2
SCHEMBL21484075 0.77 POLB (0.59) POLBMAPK1ATMTSHRSMN1; SMN2
SCHEMBL29726432 0.73 TSHR (0.56) HDAC1L3MBTL1TSHRSMN1; SMN2GAA
SCHEMBL3101649 0.73 TSHR (0.56) POLBMAPK1HDAC1L3MBTL1TSHR
SCHEMBL964473 0.73 TSHR (0.56) HDAC1L3MBTL1TSHRSMN1; SMN2GAA
SCHEMBL7876697 0.72 HDAC1 (0.39) HDAC1L3MBTL1MAPKAPK2KDM4ACA1
SCHEMBL31432271 0.72 HDAC1 (0.46) POLBMAPK1HDAC1L3MBTL1TSHR
SCHEMBL31432272 0.72 HDAC1 (0.46) POLBMAPK1HDAC1L3MBTL1TSHR

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-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed