SCHEMBL11526697

SCHEMBL11526697

COC(=O)c1ccc2c(c1)C(OC)(OC)NC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
PDK2 Q15119 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
PTPRC P08575 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
XDH P47989 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 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
SCHEMBL2242770 0.76 KMT2A (0.68) KMT2ACTDSP1PTPRCCA12CA1
SCHEMBL6990696 0.76 PDK2 (0.56) KMT2APDK2CTDSP1PTPRCCA12
SCHEMBL20741430 0.74 PDK2 (0.45) KMT2APDK2CTDSP1HPGDSMN1; SMN2
SCHEMBL30556462 0.73 PDK2 (0.48) KMT2APDK2CTDSP1PTPRCCA12
SCHEMBL30183643 0.72 TGM2 (0.51) KMT2ACTDSP1PTPRCCA12CA1
SCHEMBL20594709 0.72 TGM2 (0.51) KMT2ACTDSP1PTPRCCA12CA1
SCHEMBL69304 0.70 CA1 (0.61) KMT2APDK2PTPRCCA12CA1
SCHEMBL68289 0.70 CA1 (0.61) KMT2APDK2PTPRCCA12CA1
SCHEMBL15784421 0.70 ALDH1A1 (0.48) KMT2APDK2CTDSP1PTPRCCA12
SCHEMBL9769488 0.70 PTPRC (0.60) KMT2APTPRCCA12CA1CA2

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
US-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 US disclosed