SCHEMBL6239057

SCHEMBL6239057

COC(=O)CCc1ccc([N+](=O)[O-])c(NC(C)=O)c1.COC(=O)CCc1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 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
SCHEMBL4857407 0.90 KMT2A (0.45) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL4852458 0.81 KMT2A (0.54) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL1067199 0.79 SIRT2 (0.54) SIRT2ALDH1A1LMNACYP19A1
Hydrochloric Acid SCHEMBL1788098 0.78 SIRT2 (0.53) SIRT2ALDH1A1LMNACYP19A1
SCHEMBL6437317 0.75 NPSR1 (0.52) MAPTALDH1A1KMT2ALMNAPKM
SCHEMBL4850663 0.75 LMNA (0.47) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL28985286 0.74 PKM (0.49) MAPTRAB9AGAAALDH1A1KMT2A
SCHEMBL28775731 0.73 NPSR1 (0.50) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2777885 0.73 KMT2A (0.54) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL10936594 0.73 MEN1 (0.63) MAPTRAB9AALDH1A1KMT2AMEN1

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-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed