SCHEMBL6632687

SCHEMBL6632687

O=C(Nc1ccccc1)On1ccc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SCN4A P35499 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL6631235 0.84 RORC (0.43) MAPTALDH1A1SCN4AMEN1KMT2A
SCHEMBL6635974 0.81 MAPT (0.43) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6632002 0.81 SMN1; SMN2 (0.53) AURKAALDH1A1MEN1KMT2ANPC1
SCHEMBL5650068 0.77 ALDH1A1 (0.55) MAPTALDH1A1SCN4AMEN1KMT2A
SCHEMBL6630359 0.75 ALDH1A1 (0.49) ALDH1A1SCN4AMEN1KMT2ARAB9A
SCHEMBL6629379 0.74 NPC1 (0.46) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5651163 0.73 SCN4A (0.47) MAPTALDH1A1SCN4AMEN1KMT2A
SCHEMBL6634859 0.73 RAB9A (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5648908 0.73 ALDH1A1 (0.55) MAPTALDH1A1ACHE
SCHEMBL6631787 0.72 KMT2A (0.42) MAPTALDH1A1MEN1KMT2ANPC1

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-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed