SCHEMBL9716101

SCHEMBL9716101

O=CNc1cc2ccc(O)cc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.59
CA9 Q16790 2/20 0.59
TP53 P04637 2/20 0.57
HSD17B3 P37058 1/20 0.55
POLB P06746 2/20 0.54
ESR2 Q92731 1/20 0.53
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.51
GLA P06280 4/20 0.51
GAA P10253 4/20 0.51
KMT2A Q03164 4/20 0.51
S1PR4 O95977 2/20 0.51
MAPT P10636 2/20 0.51
S1PR1 P21453 2/20 0.51
PTGS1 P23219 1/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL29601296 1.00 MIF (0.59) MIFCA9TP53HSD17B3POLB
SCHEMBL8143534 0.79 SMN1; SMN2 (0.58) CA9POLBKDM4EMEN1GAA
SCHEMBL30488625 0.78 GLA (0.62) CA9POLBKDM4EMEN1GLA
SCHEMBL1607327 0.77 KDM4E (0.68) MIFCA9TP53HSD17B3POLB
SCHEMBL1861098 0.76 HSD17B3 (0.60) MIFCA9HSD17B3POLBESR2
SCHEMBL4818246 0.75 TP53 (0.64) MIFCA9TP53HSD17B3POLB
SCHEMBL19877311 0.75 TP53 (0.63) MIFCA9TP53HSD17B3POLB
SCHEMBL19877313 0.75 TP53 (0.63) MIFCA9TP53HSD17B3POLB
SCHEMBL5296804 0.74 HSD17B3 (0.68) MIFCA9HSD17B3POLBESR2
SCHEMBL480127 0.74 MIF (1.00) MIFCA9HSD17B3POLBESR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079144-A Test For Antibiotic Sensitivity Or For Minimum Inhibitory Concentration Of The Antibiotic RADIOMETER CORPORATE DEVELOPMENT LTD. (GB) 1992-01-07 US disclosed
US-5064756-A MICROBIAL SUSCEPTIBILITY ASSAY USING 7-N-(AMINOACYL)-7-AMIDO-4-METHYLCOUMARINS SIEMENS HEALTHCARE DIAGNOSTICS INC. 1991-11-12 US disclosed
EP-0091837-B1 MICROBIOLOGICAL TEST PROCESSES AND APPARATUS RADIOMETER CORPORATE DEVELOPMENT LIMITED (GB) 1989-07-26 EP disclosed