SCHEMBL29633738

SCHEMBL29633738

O=c1[nH]c2ccccc2c2cc3c(cc12)OCO3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TNKS O95271 2/20 0.56
TNKS2 Q9H2K2 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
GPR3 P46089 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
PARP15 Q460N3 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PDE10A Q9Y233 1/20 0.54
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL14355022 0.82 PARP1 (0.75) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9709265 0.79 GAA (0.58) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL7980275 0.75 SRC (0.66) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25836119 0.75 AHR (0.69) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25836020 0.75 AHR (0.69) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL25835160 0.74 AHR (0.67) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31326568 0.73 PARP1 (1.00) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL30090619 0.73 PARP1 (1.00) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL29593478 0.73 PARP1 (1.00) PARP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL17293 0.73 PARP1 (1.00) PARP1KDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059968-A Synthesis method of phenanthridinone compound based on visible light catalysis 安徽工程大学 2024-12-03 CN disclosed
CN-118666802-A Method for preparing biaryl derivative by iron-catalyzed difunctional 北京师范大学 2024-09-20 CN disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 CN disclosed
CN-116554100-A Method for synthesizing phenanthridinone compound by palladium catalysis 江苏师范大学 2023-08-08 CN disclosed
WO-2022103263-A1 RODENTICIDE METAMETA RESEARCH B.V. (NL) 2022-05-19 WO disclosed