SCHEMBL28054561

SCHEMBL28054561

NC(Cc1ccc(F)cc1)C(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PIN1 Q13526 1/20 0.38
EPHX2 P34913 1/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CPA1 P15085 1/20 0.36

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
SCHEMBL16397974 1.00 KMT2A (0.41) KMT2AFABP5FABP7MDM4TP53
SCHEMBL29036117 0.92 KMT2A (0.45) KMT2AFABP5FABP7MDM4TP53
SCHEMBL2358897 0.88 MDM2 (0.43) KMT2AFABP5FABP7MDM2PPARG
SCHEMBL2311742 0.88 MDM2 (0.43) KMT2AFABP5FABP7MDM2PPARG
SCHEMBL18989109 0.85 ANPEP (0.40) KMT2AFABP5FABP7TP53PPARG
SCHEMBL28094649 0.84 SLC1A3 (0.42) KMT2AFABP5FABP7PPARGPPARA
SCHEMBL1514601 0.84 FABP5 (0.43) KMT2AFABP5FABP7PPARGPPARA
SCHEMBL7128599 0.82 KMT2A (0.47) KMT2AFABP5FABP7MDM4TP53
SCHEMBL28888234 0.81 KMT2A (0.46) KMT2AFABP5FABP7MDM4TP53
SCHEMBL3590767 0.80 KMT2A (0.43) KMT2AFABP5FABP7MDM4TP53

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
CN-105377838-A Novel antimalarial agents MEDICINES FOR MALARIA VENTURE MMV 2016-03-02 CN disclosed