SCHEMBL29893237

SCHEMBL29893237

O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
PARP1 P09874 11/20 0.58
GRIA1 P42261 1/20 0.54
GRIA2 P42262 1/20 0.54
GRIA3 P42263 1/20 0.54
GRIA4 P48058 1/20 0.54
PLA2G10 O15496 1/20 0.50
MGAM O43451 1/20 0.50
PLA2G2A P14555 1/20 0.50
PLA2G5 P39877 1/20 0.50
PLA2G12A Q9BZM1 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MPI P34949 1/20 0.48
KMT2A Q03164 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47

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
SCHEMBL29893296 0.77 PARP1 (0.56) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL13082234 0.76 TP53 (0.68) TP53PARP1ALDH1A1CDC7PLK4
SCHEMBL8564331 0.76 TP53 (0.68) TP53PARP1CDC7PLK4AURKA
SCHEMBL9415217 0.76 TP53 (0.68) TP53PARP1CDC7PLK4AURKA
SCHEMBL8569594 0.76 TP53 (0.68) TP53PARP1MEN1KMT2ACDC7
SCHEMBL30902522 0.76 TP53 (1.00) TP53PARP1CDC7PLK4AURKA
SCHEMBL4529420 0.76 TP53 (0.68) TP53PARP1PLA2G10MGAMPLA2G2A
Hydrochloric Acid SCHEMBL9415725 0.75 TP53 (0.66) TP53PARP1ALDH1A1CDC7PLK4
SCHEMBL29673205 0.74 PARP1 (1.00) TP53PARP1ALDH1A1CDC7PLK4
SCHEMBL1133601 0.74 PARP1 (1.00) TP53PARP1ALDH1A1CDC7PLK4

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