SCHEMBL21539935

SCHEMBL21539935

O=C1c2ccccc2C(COCCCO)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.72
TP53 P04637 1/20 0.50

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
SCHEMBL2456657 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL12305358 0.81 MDM2 (1.00) MDM2TP53
SCHEMBL2457687 0.81 MDM2 (1.00) MDM2TP53
SCHEMBL21539946 0.79 MDM2 (0.73) MDM2TP53
SCHEMBL20100157 0.77 MDM2 (0.75) MDM2
SCHEMBL21539978 0.77 MDM2 (0.74) MDM2TP53
SCHEMBL2454859 0.75 MDM2 (1.00) MDM2TP53
SCHEMBL12305357 0.75 MDM2 (1.00) MDM2TP53
SCHEMBL20100140 0.73 MDM2 (0.72) MDM2TP53
SCHEMBL21539814 0.72 MDM2 (0.75) MDM2TP53

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
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed