SCHEMBL21539942

SCHEMBL21539942

O=C1c2ccccc2C(c2ccc(Cl)cc2C(O)C2(CO)CC2)N1Cc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.41
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 4/20 0.35
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.32
BRS3 P32247 1/20 0.32

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
SCHEMBL21539910 0.91 MAPT (0.41) MDM2HPGDALDH1A1HTTNPSR1
SCHEMBL21539944 0.84 MDM2 (0.42) MDM2HPGDALDH1A1HTTNPSR1
SCHEMBL17366151 0.74 MDM2 (0.58) MDM2HPGDALDH1A1HTTNPSR1
SCHEMBL30121977 0.68 MDM2 (0.64) MDM2HPGDALDH1A1HTTNPSR1
SCHEMBL20100175 0.67 MDM2 (0.44) MDM2ALDH1A1MAPTTP53
SCHEMBL17366169 0.63 MDM2 (0.58) MDM2ALDH1A1HTTNPSR1MAPT
SCHEMBL17366174 0.63 MDM2 (0.58) MDM2ALDH1A1HTTNPSR1KDM4E
SCHEMBL17366170 0.63 MDM2 (0.64) MDM2ALDH1A1HTTNPSR1MAPT
SCHEMBL17366172 0.62 MDM2 (0.54) MDM2HPGDALDH1A1HTTNPSR1
SCHEMBL17366156 0.62 MDM2 (0.60) MDM2HPGDALDH1A1HTTNPSR1

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