SCHEMBL31663029

SCHEMBL31663029

Nc1cc(CN2C(=O)C(Cl)=C(Cl)C2O)ccc1N1CCN(C(=O)[C@@H]2CCCN2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 6/20 0.38
PARP1 P09874 2/20 0.36
KHK P50053 2/20 0.36
SMYD2 Q9NRG4 1/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CG P48736 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL31662779 0.86 KHK (0.43) CCR4PARP1KHKHRH2HRH1
SCHEMBL31662803 0.81 HTR1A (0.35) HTR1A
SCHEMBL31662829 0.79 VEGFA (0.41) KMT2A
SCHEMBL31662710 0.78 HSD17B10 (0.42) HRH2HRH1KMT2A
SCHEMBL31662798 0.78 KHK (0.42) CCR4PARP1KHKHTR1AADRA1D
SCHEMBL31662839 0.77 MC4R (0.37) KMT2A
SCHEMBL31662938 0.72 MC4R (0.34)
SCHEMBL31663040 0.67 ME2 (0.44) KMT2A
Hydrochloric Acid SCHEMBL6981988 0.67 MEN1 (0.50) CCR4PARP1KHKSMYD2HRH2
SCHEMBL31663031 0.67 GFER (0.47) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025147756-A1 VIRAL SENSITIZERS COMPOSITIONS, METHODS AND USES THEREOF OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2025-07-17 WO disclosed