SCHEMBL23535641

SCHEMBL23535641

COc1cc(C(=O)NCc2ccc(Cl)cc2)c(N)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
PPARA Q07869 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48
HTR2A P28223 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NLRP3 Q96P20 1/20 0.47
AKR1B1 P15121 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL31715299 0.84 HPGD (0.64) KMT2APPARAKDM4EALDH1A1HPGD
SCHEMBL8297189 0.84 GAA (0.55) KMT2AHPGDL3MBTL1MEN1LMNA
SCHEMBL23657593 0.81 LMNA (0.72) PPARAALDH1A1HPGDLMNANLRP3
SCHEMBL31715236 0.80 PPARA (0.55) KMT2APPARAALDH1A1HPGDMAPT
SCHEMBL7655088 0.79 TP53 (0.55) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL25343160 0.79 HPGD (0.55) KMT2APPARAKDM4EALDH1A1HPGD
SCHEMBL8300733 0.79 LMNA (0.55) PPARAKDM4EALDH1A1HPGDCA1
SCHEMBL8292287 0.79 GAA (0.57) PPARAKDM4EALDH1A1HPGDCA1
SCHEMBL22323973 0.78 KDM4E (0.51) KMT2AKDM4EALDH1A1HPGDMAPT
SCHEMBL28729066 0.77 HPGD (0.68) KMT2APPARAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227148-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR TREATMENT OF HERPES VIRUSES ASSEMBLY BIOSCIENCES, INC. (US) 2025-10-30 WO disclosed
EP-4076438-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
WO-2021127071-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
WO-2021127071-A1 BICYCLIC HETEROCYCLE COMPOUNDS METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed