SCHEMBL4711953

SCHEMBL4711953

CCCCOC(=O)NC(CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
FAAH O00519 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3821977 0.90 MAPT (0.49) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL8127278 0.88 MAPT (0.50) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL5085765 0.84 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2FAAHL3MBTL1
SCHEMBL844472 0.84 SMN1; SMN2 (0.57) MAPTLMNAALDH1A1SMN1; SMN2FAAH
SCHEMBL14040614 0.84 SMN1; SMN2 (0.57) MAPTLMNAALDH1A1SMN1; SMN2FAAH
SCHEMBL7050834 0.84 MAPT (0.44) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL4683206 0.83 MAPT (0.52) MAPTLMNAMEN1ALOX12KMT2A
SCHEMBL4097623 0.83 SMN1; SMN2 (0.48) SMN1; SMN2FAAHL3MBTL1NPC1HPGD
SCHEMBL2320404 0.83 FAAH (0.59) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL4265545 0.83 SMN1; SMN2 (0.50) MAPTLMNAALDH1A1SMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687305-B1 1H-IMIDAZOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-07-09 EP disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed