SCHEMBL25922202

SCHEMBL25922202

CCCCc1ccc(I)cc1CCCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTRC Q99895 1/20 0.39
TLR8 Q9NR97 1/20 0.36
SLC6A4 P31645 1/20 0.36
LIPG Q9Y5X9 1/20 0.33
SKP2 Q13309 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL28166338 0.92 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL14220741 0.86 IDO1 (0.34) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL21286980 0.85 TYR (0.50) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL21286978 0.85 TYR (0.41) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19157118 0.83 TYR (0.44) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL15586578 0.82 TYR (0.52) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL29768266 0.79 SLC6A4 (0.38) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL19122669 0.79 HTR2A (0.43) ALOX5
SCHEMBL11571504 0.79 ALOX5 (0.43) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5684607 0.78 TYR (0.53) TYRMEN1TP53CYP3A4ALOX5

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-2023142485-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed
WO-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed