SCHEMBL12822646

SCHEMBL12822646

COC(=O)c1cccc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1.O=C(O)c1cccc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.52
F10 P00742 4/20 0.52
MAPK10 P53779 1/20 0.49
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MAPK8 P45983 2/20 0.48
PARP1 P09874 2/20 0.47
PARP2 Q9UGN5 2/20 0.47
PLA2G10 O15496 1/20 0.46

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
SCHEMBL30417904 0.96 F10 (0.55) F10MAPK10HDAC8HDAC6MAPK8
SCHEMBL12822364 0.96 F10 (0.55) F10MAPK10HDAC8HDAC6MAPK8
SCHEMBL30417796 0.91 FOLH1 (0.60) FOLH1F10HDAC8HDAC6PARP1
SCHEMBL29568679 0.91 FOLH1 (0.60) FOLH1F10HDAC8HDAC6PARP1
SCHEMBL12822199 0.91 FOLH1 (0.60) FOLH1F10HDAC8HDAC6PARP1
SCHEMBL20421481 0.82 HDAC8 (0.53) F10MAPK10HDAC8HDAC6PARP1
SCHEMBL23997296 0.82 LMNA (0.53) F10MAPK10MAPK8
SCHEMBL30345095 0.82 LMNA (0.53) F10MAPK10MAPK8
SCHEMBL12822214 0.81 PARP1 (0.47) F10HDAC8HDAC6PARP1PARP2
SCHEMBL12822057 0.81 FOLH1 (0.52) FOLH1HDAC8HDAC6PARP1PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709990-A1 1-(ARYLMETHYL)QUINAZOLINE-2,4(1H,3H)-DIONES AS PARP INHIBITORS AND THE USE THEREOF Impact Therapeutics, Inc. (CN) 2014-03-26 EP disclosed
WO-2012130166-A1 1-(ARYLMETHYL)QUINAZOLINE-2,4(1H,3H)-DIONES AS PARP INHIBITORS AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2012-10-04 WO disclosed