SCHEMBL7919728

SCHEMBL7919728

NC1(Oc2ccccc2)C=C([N+](=O)[O-])C=CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
TLR4 O00206 1/20 0.31
TLR2 O60603 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7913020 0.88 F2 (0.38) MEN1KMT2A
SCHEMBL7913124 0.75 CES2 (0.35) MEN1KMT2A
SCHEMBL7921835 0.74
SCHEMBL4431394 0.69
SCHEMBL16005111 0.67
SCHEMBL27502523 0.65 CES2 (0.38) SMN1; SMN2MEN1KMT2A
SCHEMBL9788468 0.64 MEN1 (0.33) ALOX5MEN1KMT2A
SCHEMBL16005069 0.62 BCL9 (0.36)
SCHEMBL10426165 0.61
SCHEMBL3618771 0.59

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-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed