SCHEMBL29893170

SCHEMBL29893170

COC(=O)c1ccc2c(c1)[nH]c(=O)c1nccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.56
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
CSNK2A1 P68400 1/20 0.48
PDE2A O00408 1/20 0.46
PDE6D O43924 1/20 0.46
PDE8A O60658 1/20 0.46
PDE5A O76074 1/20 0.46
PDE9A O76083 1/20 0.46
PDE8B O95263 1/20 0.46
PDE6A P16499 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
SCHEMBL709513 0.81 PDE2A (0.50) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL29893230 0.79 PARP1 (0.62) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL3339424 0.79 PARP1 (0.62) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL29203609 0.78 ALDH1A1 (0.55) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL29893098 0.77 PARP1 (0.51) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL29892956 0.77 PARP1 (0.52) PARP1CSNK2A1PDE9AKDM4EALDH1A1
SCHEMBL7980590 0.77 PARP1 (0.52) PARP1CSNK2A1PDE9AKDM4EALDH1A1
SCHEMBL29892809 0.76 PARP1 (0.50) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL31386725 0.75 PARP1 (0.50) PARP1CSNK2A1KDM4EALDH1A1KMT2A
SCHEMBL29893999 0.75 PARP1 (0.49) PARP1CSNK2A1KDM4EALDH1A1KMT2A

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