SCHEMBL8624497

SCHEMBL8624497

O=C(O)CCCCc1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
MAPT P10636 3/20 0.43
HRH4 Q9H3N8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
POLB P06746 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LMNA P02545 1/20 0.41
KCNJ1 P48048 1/20 0.41
SERPINE1 P05121 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
SCHEMBL27602612 0.92 CYP19A1 (0.52) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL28923795 0.83 KCNH2 (0.50) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL10430003 0.83 CYP19A1 (0.48) CYP19A1MAPTHRH4ALDH1A1PKM
SCHEMBL28007741 0.82 CYP19A1 (0.54) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL9486575 0.81 CYP19A1 (0.49) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL8802605 0.81 CYP19A1 (0.49) CYP19A1MAPTHRH4L3MBTL1ALDH1A1
SCHEMBL6597520 0.81 CYP19A1 (0.51) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL7807147 0.78 KDM4E (0.55) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL5828718 0.78 CYP19A1 (0.54) CYP19A1MAPTHRH4MEN1KMT2A
SCHEMBL1122113 0.77 FFAR1 (0.49) CYP19A1MAPTL3MBTL1

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-0885235-A1 NUCLEOSIDE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997028176-A1 NUCLEOSIDE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-07 WO disclosed