SCHEMBL21731335

SCHEMBL21731335

COc1ccc(I)cc1C1NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PIM1 P11309 1/20 0.37
PDE4B Q07343 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
EGFR P00533 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP12 P39900 1/20 0.36
ALOX15 P16050 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
SCHEMBL30550439 0.84 TP53 (0.47) RECQLPOLBL3MBTL1LMNAMEN1
SCHEMBL11650712 0.84 LMNA (0.56) RECQLL3MBTL1LMNAMEN1KMT2A
SCHEMBL21723541 0.84 TP53 (0.47) RECQLPOLBL3MBTL1LMNAMEN1
SCHEMBL21723380 0.82 TDP1 (0.51) RECQLPOLBL3MBTL1LMNAMEN1
SCHEMBL30550371 0.82 TDP1 (0.51) RECQLPOLBL3MBTL1LMNAMEN1
SCHEMBL30550385 0.78 POLB (0.63) POLBL3MBTL1MEN1KMT2AGAA
SCHEMBL8595564 0.78 POLB (0.63) POLBL3MBTL1MEN1KMT2AGAA
SCHEMBL11653846 0.75 ALOX15 (0.59) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8354029 0.74 GAA (0.58) L3MBTL1MEN1KMT2AGAAALDH1A1
SCHEMBL11652878 0.71 GAA (0.61) L3MBTL1LMNAMEN1KMT2AGAA

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-2020036386-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER 한국화학연구원 2020-02-20 WO disclosed