SCHEMBL7145307

SCHEMBL7145307

CC(C)(C)OC(=O)Nc1cc(CO)c(I)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 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
SCHEMBL7138161 0.87 PDGFRB (0.43) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL7145468 0.87 MMP1 (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MMP1
SCHEMBL6434094 0.86 ALDH1A1 (0.36) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL27501056 0.86 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL7147497 0.84 KCNMA1 (0.41) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL7144170 0.84 RECQL (0.43) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL5557362 0.83 LMNA (0.41) SMN1; SMN2HTTMAPK1ALDH1A1GLA
SCHEMBL5563701 0.82 NPC1 (0.41) KMT2ASMN1; SMN2MEN1HTTNPC1
SCHEMBL7138005 0.82 MAPT (0.42) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL7141612 0.81 PKM (0.43) KMT2ASMN1; SMN2MEN1HTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed