SCHEMBL7961706

SCHEMBL7961706

O=[N+]([O-])c1ccc(OC2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
F10 P00742 2/20 0.43
SCD O00767 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
HSPB1 P04792 1/20 0.40

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
SCHEMBL5634035 0.93 MAPT (0.44) MAPTMEN1KMT2AATMPOLB
SCHEMBL7958334 0.93 MAPT (0.44) MAPTMEN1KMT2AATMPOLB
SCHEMBL7958424 0.93 MAPT (0.44) MAPTMEN1KMT2AATMPOLB
SCHEMBL17654114 0.84 MAPT (0.66) MAPTMEN1KMT2AATMPOLB
SCHEMBL17654181 0.84 MAPT (0.54) MAPTMEN1KMT2AATMPOLB
SCHEMBL9760792 0.83 POLB (0.51) MAPTMEN1KMT2APOLBCYP2C9
SCHEMBL30114540 0.82 HSPB1 (0.51) MAPTMEN1KMT2APOLBCYP2C9
SCHEMBL12094284 0.81 MAPT (0.48) MAPTMEN1KMT2AATMPOLB
SCHEMBL2814281 0.81 MAPT (0.48) MAPTMEN1KMT2APOLBCYP2C9
SCHEMBL3384471 0.80 HRH3 (0.48) MAPTMEN1KMT2ACYP2C9ALDH1A1

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed