SCHEMBL1026410

SCHEMBL1026410

CC(C)(C)N(C(=O)O)c1cc([N+](=O)[O-])cc(I)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
HTT P42858 4/20 0.58
MEN1 O00255 3/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GALR3 O60755 1/20 0.43
GPR35 Q9HC97 5/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL1026412 1.00 KMT2A (0.58) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL1026260 0.82 ALDH1A1 (0.48) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL1026262 0.82 ALDH1A1 (0.48) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL1028886 0.77 L3MBTL1 (0.49) HTTLMNAL3MBTL1SMN1; SMN2GPR35
SCHEMBL1028889 0.77 L3MBTL1 (0.49) HTTLMNAL3MBTL1SMN1; SMN2GPR35
SCHEMBL205059 0.76 MEN1 (1.00) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL12095462 0.75 MEN1 (0.95) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL17221822 0.74 HTT (0.43) KMT2AHTTMEN1LMNAL3MBTL1
SCHEMBL16735812 0.73 ALDH1A1 (0.44) KMT2AHTTMEN1L3MBTL1ALDH1A1
SCHEMBL3509381 0.73 ALDH1A1 (0.46) KMT2AHTTMEN1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed