SCHEMBL7733703

SCHEMBL7733703

CC(C)(Cl)C(=O)Cl.O=C(Cl)C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAOB P27338 7/20 0.52
MAOA P21397 5/20 0.52
BCHE P06276 1/20 0.51
HTT P42858 1/20 0.48
CYP1B1 Q16678 1/20 0.48
APP P05067 1/20 0.47
APEX1 P27695 1/20 0.47
HSPD1 P10809 1/20 0.47
HSPE1 P61604 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
FBP1 P09467 2/20 0.46

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
SCHEMBL737053 0.89 MAOB (0.62) LMNAALDH1A1MEN1KMT2AMAOB
SCHEMBL737052 0.89 MAOB (0.62) LMNAALDH1A1MEN1KMT2AMAOB
SCHEMBL15238912 0.76 MEN1 (0.69) MEN1KMT2AMAOBMAOABCHE
SCHEMBL811912 0.76 MEN1 (0.69) MEN1KMT2AMAOBMAOABCHE
SCHEMBL279483 0.76 MEN1 (0.69) MEN1KMT2AMAOBMAOABCHE
SCHEMBL9778220 0.76 MEN1 (0.69) ALDH1A1MEN1KMT2AMAOBMAOA
SCHEMBL11702342 0.76 MEN1 (0.69) ALDH1A1MEN1KMT2AMAOBMAOA
SCHEMBL7310344 0.75 MEN1 (0.55) LMNAALDH1A1MEN1KMT2AMAOB
SCHEMBL7310338 0.75 MEN1 (0.55) LMNAALDH1A1MEN1KMT2AMAOB
SCHEMBL277169 0.74 MEN1 (0.71) MEN1KMT2AMAOBMAOABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998057173-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PHENYLALANINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-17 WO disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed