SCHEMBL6602513

SCHEMBL6602513

CC(=O)Nc1ccc(-c2cc(C)nc3ccc(N)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MMP9 P14780 2/20 0.50
GNG2 P59768 2/20 0.50
GNB1 P62873 2/20 0.50
NQO2 P16083 1/20 0.50
MMP1 P03956 1/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
OPRL1 P41146 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
PDE10A Q9Y233 2/20 0.46
GLA P06280 1/20 0.45
HIF1A Q16665 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6608655 0.84 HTT (0.59) KMT2AMEN1MMP9GNG2GNB1
SCHEMBL6599966 0.81 ABCG2 (0.53) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6608651 0.80 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7763069 0.77 GNG2 (0.81) KMT2AMEN1MMP9GNG2GNB1
SCHEMBL13696892 0.77 KMT2A (0.55) KMT2AMEN1MMP9GNG2GNB1
SCHEMBL15624395 0.74 KMT2A (0.51) KMT2AMEN1MMP9GNG2GNB1
SCHEMBL25750389 0.73 MAPK10 (0.57) KMT2AMEN1MMP9MMP1ALDH1A1
SCHEMBL3651398 0.72 MEN1 (0.57) KMT2AMEN1MMP9GNG2GNB1
SCHEMBL3225408 0.72 SMN1; SMN2 (0.79) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL23999812 0.72 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1KDM4EMAPT

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed