SCHEMBL30076189

SCHEMBL30076189

Brc1cc(Br)c(Oc2cc(Br)cc(Br)c2Br)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 9/20 0.60
▸ ALOX12 P18054 6/20 0.60
▸ AKR1B1 P15121 6/20 0.52
▸ TDP1 Q9NUW8 3/20 0.46
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL29361166 0.87 TDP1 (0.59) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL16678586 0.86 TDP1 (0.67) ALOX15ALOX12AKR1B1TDP1MAPT
SCHEMBL29469603 0.86 ALOX15 (0.66) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL3803700 0.79 TDP1 (0.45) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL16678554 0.76 ALOX15 (0.50) ALOX15ALOX12AKR1B1TDP1MAPK1
SCHEMBL29599950 0.76 ALOX15 (0.50) ALOX15ALOX12AKR1B1TDP1MAPK1
SCHEMBL14938618 0.76 MAPK1 (0.59) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL30298309 0.76 MAPK1 (0.75) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL14385345 0.76 ALOX15 (1.00) ALOX15ALOX12AKR1B1TDP1MEN1
SCHEMBL14938506 0.74 ALOX15 (0.75) ALOX15ALOX12AKR1B1TDP1MEN1

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
CN-115389683-B Quantitative device of brominated flame-retardant compound 株式会社岛津制作所 2024-04-05 — — CN disclosed
CN-115389683-A Quantitative device for brominated flame-retardant compound 株式会社岛津制作所 2022-11-25 — — CN disclosed
Send feedback