SCHEMBL9505468

SCHEMBL9505468

COC(=O)c1ccccc1NCc1ccc2c(c1)OCO2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
MEN1 O00255 4/20 0.76
KDM4E B2RXH2 2/20 0.76
TSHR P16473 1/20 0.76
RAB9A P51151 1/20 0.62
HPGD P15428 7/20 0.60
KDR P35968 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 2/20 0.56
GAA P10253 1/20 0.56
POLB P06746 2/20 0.55
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53

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
SCHEMBL9283376 0.88 KDR (0.62) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL31123654 0.80 KDM4E (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL16269400 0.80 KMT2A (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL16269402 0.80 KMT2A (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL16269403 0.80 KMT2A (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL28628885 0.78 KMT2A (0.62) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL28709378 0.78 KMT2A (0.69) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL29493346 0.78 KMT2A (0.69) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL22854454 0.77 ALDH1A1 (0.68) KMT2AMEN1KDM4ETSHRHPGD
SCHEMBL2134514 0.75 SMN1; SMN2 (0.57) KMT2AMEN1KDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5140585-A None JP disclosed
JP-H05140585-A PERFUME COMPOSITION T HASEGAWA CO LTD 1993-06-08 JP disclosed