SCHEMBL19984837

SCHEMBL19984837

Cc1cccc(C(=O)CC(O)I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP2 O95551 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PARP1 P09874 1/20 0.50
CTNNB1 P35222 3/20 0.48
WNT3A P56704 3/20 0.48
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL28554899 0.86 PARP1 (0.53) MEN1MAPTKMT2ANPSR1TDP2
SCHEMBL8812764 0.84 CTNNB1 (0.53) MEN1MAPTKMT2ANPSR1TDP2
SCHEMBL12960171 0.82 PARP1 (0.53) MEN1MAPTKMT2ANPSR1TDP2
SCHEMBL19984703 0.79 ERCC5 (0.54) MEN1KMT2APARP1HPGDKCNH2
SCHEMBL19984840 0.79 CES2 (0.57) KMT2APARP1CTNNB1WNT3ATDP1
SCHEMBL19984698 0.78 GSK3B (0.53) MEN1MAPTKMT2ANPSR1ALDH1A1
SCHEMBL11341501 0.78 PARP1 (0.57) MEN1MAPTKMT2ANPSR1PARP1
SCHEMBL28728190 0.77 MEN1 (0.64) MEN1MAPTKMT2ANPSR1PARP1
SCHEMBL29456641 0.77 MEN1 (0.64) MEN1MAPTKMT2ANPSR1PARP1
SCHEMBL29062364 0.77 CTNNB1 (0.70) MEN1MAPTKMT2ANPSR1PARP1

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed