SCHEMBL29893389

SCHEMBL29893389

COC(=O)c1cc2[nH]c(=O)c3ccccc3n2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
NR4A2 P43354 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PADI4 Q9UM07 1/20 0.45
KMT2A Q03164 4/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 2/20 0.44
KIF11 P52732 1/20 0.44
TNKS O95271 1/20 0.43
CYP1A2 P05177 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL15721658 0.85 PARP1 (0.46) PARP1CYP1A2
SCHEMBL14647112 0.83 PARP1 (0.46) PARP1KDM4ECYP1A2
SCHEMBL15703252 0.80 BRD4 (0.46) PARP1ALDH1A1MAPTBRD4
SCHEMBL14647126 0.78 ALDH1A1 (0.50) PARP1ALDH1A1KDM4EGAAHTT
SCHEMBL14647128 0.77 PARP1 (0.51) PARP1ALDH1A1GAAKMT2AMEN1
SCHEMBL14647212 0.77 PARP1 (0.61) PARP1KMT2AMEN1TNKS
SCHEMBL14647263 0.77 PARP1 (0.52) PARP1ALDH1A1KDM4EHTTKMT2A
SCHEMBL14647181 0.75 PARP1 (0.56) PARP1KMT2A
SCHEMBL14647123 0.75 PARP1 (0.49) PARP1ALDH1A1KDM4EHTTKMT2A
SCHEMBL12822200 0.74 MAT2A (0.57) PARP1NR4A2ALDH1A1GAAKMT2A

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-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 WO disclosed