SCHEMBL29893296

SCHEMBL29893296

O=c1[nH]c2cc([N+](=O)[O-])ccc2n2ccnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.56
GRIA1 P42261 3/20 0.56
GRIA2 P42262 3/20 0.56
GRIA3 P42263 3/20 0.56
GRIA4 P48058 3/20 0.56
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
PDE2A O00408 1/20 0.49
PDE6D O43924 1/20 0.49
PDE8A O60658 1/20 0.49
PDE5A O76074 1/20 0.49
PDE9A O76083 1/20 0.49
PDE8B O95263 1/20 0.49
PDE6A P16499 1/20 0.49
PDE6G P18545 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
SCHEMBL9038869 0.79 POLB (0.58) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3495517 0.78 GRIA1 (0.61) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29893237 0.77 TP53 (0.61) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL30928050 0.75 PARP1 (0.71) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3494657 0.75 PARP1 (0.57) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31377420 0.75 PARP1 (0.57) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3493681 0.75 GRIA1 (0.68) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8314522 0.74 PTPRC (0.44) GRIA1GRIA2GRIA3GRIA4
SCHEMBL30273078 0.74 PDE2A (0.69) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2818529 0.74 PDE2A (0.69) PARP1GRIA1GRIA2GRIA3GRIA4

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