SCHEMBL7138161

SCHEMBL7138161

COC(=O)Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 2/20 0.36

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
SCHEMBL7145307 0.87 KMT2A (0.37) HTTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL7145468 0.84 MMP1 (0.39) SMN1; SMN2MEN1KMT2AMMP1MMP2
SCHEMBL27501056 0.83 SMN1; SMN2 (0.37) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL6434094 0.83 ALDH1A1 (0.36) HTTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL6435029 0.81 SMN1; SMN2 (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7138444 0.81 ALDH1A1 (0.50) POLBHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7141612 0.81 PKM (0.43) HTTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL7144170 0.81 RECQL (0.43) HTTSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL7147497 0.81 KCNMA1 (0.41) HTTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL7139788 0.80 ATR (0.39) PDGFRBFGFR1PDGFRAFLT1FGFR3

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