SCHEMBL6202617

SCHEMBL6202617

COc1cccc(NC(CC(=O)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 1/20 0.57
NLRP3 Q96P20 1/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASR P41180 1/20 0.51
PGR P06401 1/20 0.49
AR P10275 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL2886568 0.79 L3MBTL1 (0.62) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2886563 0.79 L3MBTL1 (0.62) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL17549648 0.77 L3MBTL1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL17767290 0.77 KMT2A (0.57) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL17767291 0.77 KMT2A (0.57) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL28814486 0.77 MTNR1B (0.55) RAB9AKMT2AMEN1POLBTP53
SCHEMBL28000883 0.76 MAPT (0.57) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL13282701 0.76 POLB (0.67) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2485948 0.76 POLB (0.67) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL12174660 0.75 L3MBTL1 (0.62) NPC1RAB9AKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed