SCHEMBL27622142

SCHEMBL27622142

Cc1ccc(C(=O)N2CCN(OC(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HSP90AA1 P07900 1/20 0.58
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.47
POLB P06746 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL375808 0.85 GAA (0.65) GAAALDH1A1SMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL27786432 0.83 CA12 (0.55) ALDH1A1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL27622139 0.82 MAPT (0.44) GAAALDH1A1SMN1; SMN2HSP90AA1LMNA
SCHEMBL27853349 0.81 RXFP1 (0.65) ALDH1A1SMN1; SMN2L3MBTL1LMNAHTT
SCHEMBL10126443 0.80 GAA (0.76) GAAALDH1A1SMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL27939943 0.79 ALDH1A1 (0.57) GAAALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2378269 0.78 GAA (0.69) GAAALDH1A1SMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL29601441 0.78 GAA (0.72) GAAALDH1A1SMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL22767195 0.78 GAA (1.00) GAAALDH1A1SMN1; SMN2L3MBTL1HSP90AA1
SCHEMBL27839255 0.75 HPGD (0.59) ALDH1A1L3MBTL1LMNAHTTKMT2A

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
CN-101921236-B 2, 4- di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG 2013-01-16 CN disclosed
CN-101921236-A Can be used for treating 2 of neoplastic disease, inflammatory and disorder of immune system, 4-two (phenylamino) pyrimidine NOVARTIS AG 2010-12-22 CN disclosed
CN-1788001-B 2, 4-bis (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG 2010-09-22 CN disclosed
CN-1788001-A 2, 4-bis (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-06-14 CN disclosed