SCHEMBL18937428

SCHEMBL18937428

O=C1COc2ccccc2N1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
DAPK3 O43293 1/20 0.43
RET P07949 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
PTK2 Q05397 1/20 0.43
TNK2 Q07912 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL22879395 0.78 HSD17B3 (0.47) TSHRMEN1KMT2APOLBLMNA
SCHEMBL15762375 0.78 L3MBTL1 (0.47) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4428563 0.77 TSHR (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL474484 0.77 CYP11B1 (0.51) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30581468 0.77 TSHR (0.53) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2748218 0.77 TSHR (0.53) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7350158 0.77 ALOX12 (0.47) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL14615631 0.75 KMO (0.55) TSHRMEN1KMT2APOLBHTT
SCHEMBL6362106 0.74 HPGD (0.56) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL19393139 0.73 L3MBTL1 (0.46) TSHRMEN1KMT2AL3MBTL1ALDH1A1

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
WO-2017093545-A1 ANTI-BACTERIAL COMPOUNDS BASED ON AMINO-GOLD PHOSPHINE COMPLEXES AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed