SCHEMBL7199062

SCHEMBL7199062

COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CC(=O)OCc3ccccc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
EGLN1 Q9GZT9 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNFRSF1A P19438 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PLA2G2A P14555 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL7200867 0.91 EGLN1 (0.44) SMN1; SMN2LMNAALDH1A1HSD17B10EGLN1
SCHEMBL6170009 0.85 EGLN1 (0.42) EGLN1
SCHEMBL7813546 0.81 HDAC6 (0.41)
SCHEMBL6170913 0.79 KMO (0.48) LMNAALDH1A1HSD17B10EGLN1MEN1
SCHEMBL6172328 0.78 TSPO (0.54) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL6170872 0.75 TDP1 (0.46) ALDH1A1HSD17B10NPC1HPGD
SCHEMBL6170336 0.75 KMO (0.44) EGLN1MAPT
SCHEMBL7191760 0.74 DYRK1A (0.43) EGLN1MAPT
SCHEMBL6170787 0.74 DYRK1A (0.42) SMN1; SMN2LMNAALDH1A1HSD17B10EGLN1
SCHEMBL7439033 0.73 SMN1; SMN2 (0.64) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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-6593342-B1 Activity on the proliferation of clonogenic cells in tumours and comprising an efficient amount of a compound selected among the compounds LABORATOIRE L. LAFON (FR) 2003-07-15 US disclosed