SCHEMBL6969610

SCHEMBL6969610

O=C(O)CCCn1cccc([N+](=O)[O-])c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 1/20 0.44
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6975296 0.84 LMNA (0.49) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL7234130 0.82 RAD52 (0.56) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL20944994 0.79 RECQL (0.49) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL20945317 0.79 RAD52 (0.48) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL28684345 0.78 RECQL (0.48) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL6968546 0.78 ELANE (0.47) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL16794652 0.77 RECQL (0.52) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL20945118 0.77 RECQL (0.52) RECQLRAD52ALDH1A1SMN1; SMN2HTT
SCHEMBL7256476 0.77 EGLN1 (0.47) PARP1KMT2AMAPTMEN1KAT2A
SCHEMBL19172759 0.77 RECQL (0.47) RECQLRAD52ALDH1A1SMN1; SMN2HTT

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-1272487-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN AstraZeneca AB (SE) 2003-01-08 EP disclosed
WO-2001053295-A1 BICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF THE INTERACTION BETWEEN THE INTEGRIN ALPHA4BETA1 RECEPTOR AND VCAM-1 AND/OR FIBRONECTIN ASTRAZENECA AB (SE) 2001-07-26 WO disclosed