SCHEMBL6428293

SCHEMBL6428293

CCCCN(CC)c1ccnc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
VCAM1 P19320 2/20 0.35
HRH3 Q9Y5N1 1/20 0.32
KCNH2 Q12809 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
HPGD P15428 1/20 0.31
ALDH3A1 P30838 1/20 0.31
TP53 P04637 1/20 0.30
HCAR3 P49019 1/20 0.30
CYP19A1 P11511 2/20 0.30
NPC1 O15118 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL23234735 0.73 MAPT (0.45) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL27690591 0.72 MAPT (0.48) MAPTMAPK1CYP3A4HTTMEN1
SCHEMBL2976355 0.71 ALDH1A1 (0.46) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL6428299 0.69 MAPT (0.36) MAPTCYP3A4HTTMEN1LMNA
SCHEMBL5844440 0.68 CRHR1 (0.43) MAPTMAPK1CYP3A4
SCHEMBL6428301 0.68 MAPT (0.35) MAPTHTTMEN1LMNAKMT2A
SCHEMBL6428300 0.68 MEN1 (0.31) MAPTHTTMEN1LMNAKMT2A
SCHEMBL8568162 0.68 MEN1 (0.38) MAPTHTTMEN1LMNAKMT2A
SCHEMBL23234743 0.66 MAPT (0.41) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL9123271 0.65 LMNA (0.49) MAPTMAPK1CYP3A4HTTMEN1

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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed