SCHEMBL28898522

SCHEMBL28898522

O=C(OC(Br)(Br)Br)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
F2 P00734 1/20 0.58
TSHR P16473 4/20 0.54
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
TDP1 Q9NUW8 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CES2 O00748 3/20 0.46

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
SCHEMBL28706308 0.83 LMNA (0.61) LMNAF2TSHRDAONAPRT
SCHEMBL28537714 0.82 TSHR (0.57) LMNAF2TSHRDAONAPRT
Hydrogen Peroxide SCHEMBL28474133 0.79 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A
SCHEMBL219676 0.79 LMNA (0.56) LMNAF2TSHRDAONAPRT
Hydrogen Peroxide SCHEMBL28425777 0.79 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A
SCHEMBL1786261 0.79 TSHR (0.59) LMNAF2TSHRDAONAPRT
SCHEMBL1953844 0.79 TSHR (0.59) LMNAF2TSHRDAONAPRT
SCHEMBL6868882 0.79 LMNA (0.56) LMNAF2TSHRDAONAPRT
SCHEMBL260960 0.79 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A
SCHEMBL29199324 0.79 TDP1 (0.64) LMNAF2TSHRMAPK1HIF1A

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-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed