SCHEMBL25390899

SCHEMBL25390899

CCCCc1oc2cc(Cl)ccc2c1C(=O)c1cc(I)c(O)c(I)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EYA3 Q99504 4/20 0.73
TTR P02766 3/20 0.61
ABCB11 O95342 2/20 0.56
ADRA2A P08913 2/20 0.56
DRD1 P21728 2/20 0.56
SLC6A2 P23975 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
SLC6A3 Q01959 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
MEN1 O00255 1/20 0.56
BIRC5 O15392 1/20 0.56
LMNA P02545 1/20 0.56
PGR P06401 1/20 0.56
HTR1A P08908 1/20 0.56
TBXA2R P21731 1/20 0.56
PTGS1 P23219 1/20 0.56
PDE4A P27815 1/20 0.56
ADORA1 P30542 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL25390776 0.91 EYA3 (0.73) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25387500 0.90 EYA3 (0.60) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25390505 0.88 TTR (0.78) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL26809640 0.88 TTR (0.77) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25388498 0.88 TTR (0.74) EYA3TTRABCB11ADRA2AOPRM1
SCHEMBL25387748 0.87 EYA3 (0.75) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25387891 0.86 EYA3 (0.73) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25391645 0.86 EYA3 (0.73) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL25391537 0.85 TTR (0.57) EYA3TTRABCB11ADRA2ADRD1
SCHEMBL6335384 0.85 EYA3 (1.00) EYA3TTRABCB11ADRA2ADRD1

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
WO-2023149549-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed
WO-2023149549-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed