SCHEMBL4075273

SCHEMBL4075273

COc1ccc(Nc2nnc(C)c3ccccc23)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
GAA P10253 2/20 0.68
SHMT2 P34897 1/20 0.65
ABCG2 Q9UNQ0 7/20 0.58
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ABCB1 P08183 4/20 0.54
ABCC1 P33527 3/20 0.54
RXFP1 Q9HBX9 3/20 0.52
ENPP3 O14638 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PRNP P04156 1/20 0.50
RECQL P46063 1/20 0.50
EGFR P00533 1/20 0.50
CLK1 P49759 1/20 0.50
MAPT P10636 1/20 0.50
PDGFRB P09619 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
SCHEMBL3764417 0.84 SHMT2 (0.60) POLBGAASHMT2ABCG2ABCB1
SCHEMBL7914641 0.82 MAPT (0.64) POLBSHMT2ABCG2NPC1ALOX15
SCHEMBL3759465 0.81 KDR (0.64) POLBGAANPC1RAB9ARXFP1
SCHEMBL17792718 0.79 SHMT2 (1.00) POLBSHMT2ABCG2MAPT
SCHEMBL3751477 0.79 ABCG2 (0.67) POLBSHMT2ABCG2RAB9AABCB1
SCHEMBL13056966 0.79 EGFR (0.59) POLBSHMT2ABCG2NPC1RAB9A
SCHEMBL28478249 0.75 ABCG2 (0.65) POLBGAAABCG2ABCB1ABCC1
SCHEMBL2256504 0.75 ABCG2 (0.73) POLBABCG2ABCB1ABCC1MAPT
SCHEMBL12135739 0.75 GAA (0.65) POLBGAAMAPT
SCHEMBL2255930 0.73 ABCG2 (1.00) GAAABCG2NPC1RAB9AABCB1

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
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed