SCHEMBL458336

SCHEMBL458336

CC(C)(C)N1CCN(c2cc(N)c([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
ALDH1A1 P00352 7/20 0.71
LMNA P02545 6/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SIRT6 Q8N6T7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL1192289 0.83 ALDH1A1 (1.00) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1193137 0.82 MAPT (1.00) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5950015 0.82 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL459965 0.81 MAPT (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1192644 0.80 MAPT (1.00) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL459968 0.80 MAPT (0.76) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27931604 0.79 MAPT (0.71) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL3986308 0.78 MAPT (0.72) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9899836 0.77 MAPT (0.67) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL12457340 0.77 MAPT (0.67) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed