SCHEMBL6901971

SCHEMBL6901971

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c([N+](=O)[O-])c2)cnn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SERPINE1 P05121 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL6896762 0.91 MAPT (0.44) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL6902446 0.89 NPY2R (0.47) MAPTGAAMAPK1ALDH1A1KMT2A
SCHEMBL6895056 0.89 MAPT (0.43) MAPTGAACYP3A4CYP2C9CYP2C19
SCHEMBL6052177 0.89 MAPT (0.45) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL7050368 0.88 MAPT (0.42) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6897156 0.81 MAPT (0.46) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL7060964 0.80 ALDH1A1 (0.44) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL6901821 0.79 MCHR1 (0.44) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL6901950 0.79 MCHR1 (0.44) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL7050099 0.79 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1CYP3A4

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed