SCHEMBL5598315

SCHEMBL5598315

Nc1cc(Cl)cc(N2CCCCC2)c1.O=[N+]([O-])c1cc(Cl)cc(N2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 9/20 0.45
▸ LMNA P02545 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK1 P28482 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX12 P18054 1/20 0.38
▸ NPSR1 Q6W5P4 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
SCHEMBL5598235 0.91 MAPT (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5591514 0.84 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5609833 0.82 LMNA (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1532381 0.78 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5005578 0.76 SIRT6 (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2712073 0.76 SLC6A9 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL15961228 0.75 SIRT6 (0.59) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL17542589 0.75 MAPT (0.48) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL16396072 0.74 MAPT (0.57) MAPTALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL19398204 0.74 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMAPK1

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-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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