SCHEMBL16003231

SCHEMBL16003231

Cc1cc(N(C)CCN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
TSHR P16473 3/20 0.44
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
GAA P10253 1/20 0.39
KDR P35968 1/20 0.39
RECQL P46063 1/20 0.37
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR3 P49019 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29740665 0.95 MAPT (0.72) MAPTTSHRHSD17B10HPGDALDH1A1
SCHEMBL5462361 0.86 MAPT (0.64) MAPTTSHRHSD17B10HPGDALDH1A1
SCHEMBL5481793 0.84 MAPT (0.60) MAPTTSHRHSD17B10HPGDALDH1A1
SCHEMBL3381659 0.83 TDP1 (0.49) MAPTTSHRALDH1A1NPSR1KDM4E
SCHEMBL30419970 0.83 TDP1 (0.49) MAPTTSHRALDH1A1NPSR1KDM4E
SCHEMBL16003471 0.81 ALDH1A1 (0.45) MAPTHSD17B10ALDH1A1KDM4ECYP3A4
SCHEMBL5278989 0.81 SMN1; SMN2 (0.44) MAPTHPGDALDH1A1NPSR1KDM4E
SCHEMBL5239456 0.81 MAPT (0.42) MAPTTSHRALDH1A1NPSR1KDM4E
SCHEMBL30871973 0.81 ALDH1A1 (0.45) MAPTHSD17B10ALDH1A1KDM4ECYP3A4
SCHEMBL6202561 0.81 MAPT (0.42) MAPTHSD17B10ALDH1A1NPSR1KDM4E

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
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed