SCHEMBL30076271

SCHEMBL30076271

Brc1cccc(Oc2ccc(Br)c(Br)c2Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 4/20 0.41
ALOX15 P16050 3/20 0.39
KDR P35968 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL30697191 0.87 EGFR (0.43) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL1536618 0.84 ALOX15 (0.46) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL6469983 0.84 CYP1A2 (0.41) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL31216683 0.81 MAPK1 (0.65) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL754642 0.80 LTA4H (0.46) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL3841259 0.78 MAOB (0.50) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL457828 0.77 MAOB (0.54) EGFRALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL23658170 0.77 MAPK1 (0.57) EGFRTDP1ALDH1A1LMNAMAPT
SCHEMBL22361231 0.76 MAPT (0.45) TDP1ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL30298318 0.76 TDP1 (0.48) TDP1ALDH1A1MAPTNPSR1MAPK1

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