SCHEMBL21539946

SCHEMBL21539946

O=C1c2ccccc2C(COCC2(CO)CC2)(c2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 20/20 0.73
TP53 P04637 10/20 0.65

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
SCHEMBL7976512 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL2454127 0.84 MDM2 (1.00) MDM2TP53
SCHEMBL21539718 0.82 MDM2 (0.75) MDM2TP53
SCHEMBL21481165 0.79 MDM2 (1.00) MDM2TP53
SCHEMBL1821011 0.79 MDM2 (1.00) MDM2TP53
SCHEMBL12305346 0.79 MDM2 (1.00) MDM2TP53
SCHEMBL21539935 0.79 MDM2 (0.72) MDM2TP53
SCHEMBL2455646 0.78 MDM2 (1.00) MDM2TP53
SCHEMBL7990911 0.78 MDM2 (1.00) MDM2TP53
SCHEMBL2454859 0.78 MDM2 (1.00) 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