SCHEMBL30445784

SCHEMBL30445784

CC(C)(C)c1ccc([I+]c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
RAB9A P51151 5/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.35
TYR P14679 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
SRD5A2 P31213 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
NPC1 O15118 3/20 0.31

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
SCHEMBL532790 0.98 TSHR (0.37) KDM1ARAB9ALMNATSHRTYR
SCHEMBL425907 0.88 KDM1A (0.45) KDM1ARAB9ALMNATSHRTYR
SCHEMBL29566113 0.87 MAPT (0.42) RAB9ALMNAMAPTL3MBTL1TDP1
Hydrochloric Acid SCHEMBL5360882 0.86 KDM1A (0.44) KDM1ARAB9ALMNATSHRTYR
SCHEMBL1002888 0.85 KDM1A (0.41) KDM1ARAB9ALMNATSHRTYR
SCHEMBL30540411 0.85 KDM1A (0.41) KDM1ARAB9ALMNATSHRTYR
SCHEMBL30540408 0.85 KDM1A (0.41) KDM1ARAB9ALMNATSHRTYR
SCHEMBL1002886 0.85 KDM1A (0.41) KDM1ARAB9ALMNATSHRTYR
SCHEMBL62199 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL1001860 0.80 KDM1A (0.35) KDM1ARAB9ALMNATSHRTYR

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
CN-116324620-A Lithographic printing plate precursor 爱克发胶印有限公司 2023-06-23 CN disclosed