SCHEMBL14724673

SCHEMBL14724673

CBCC(=O)Nc1cc([N+](=O)[O-])ccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 6/20 0.45
HTT P42858 4/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL2747272 0.84 MEN1 (0.48) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL16097376 0.84 MEN1 (0.51) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL2748284 0.82 LMNA (0.50) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL520594 0.81 SMN1; SMN2 (0.54) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL3147738 0.78 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1HTTGAA
SCHEMBL5742669 0.78 MEN1 (0.43) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL4551336 0.77 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL5742478 0.77 LMNA (0.48) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL5497669 0.76 KMT2A (0.54) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL3147066 0.76 KMT2A (0.67) KMT2AMEN1ALDH1A1GAAL3MBTL1

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
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed