SCHEMBL22893441

SCHEMBL22893441

Bc1cc(I)cc(B)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TTR P02766 1/20 0.33
CA9 Q16790 1/20 0.33
TPMT P51580 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.31
APP P05067 1/20 0.31
MCL1 Q07820 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30

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
SCHEMBL1530694 0.74 TTR (0.48) CA2CA4TDP1ACHECYP3A4
SCHEMBL14394922 0.74 ACHE (0.55) CA2CA4TDP1ACHECYP3A4
SCHEMBL210358 0.72 ACHE (0.59) ACHECYP3A4MAPTCA9ALDH1A1
SCHEMBL4599330 0.72 ACHE (0.40) CA2CA4TDP1ACHECYP3A4
SCHEMBL13369758 0.72 CA2 (0.42) CA2CA4TDP1ACHECYP3A4
SCHEMBL15998071 0.72 TPMT (0.37) TDP1ACHECYP3A4MAPTCA9
SCHEMBL17110036 0.70 ALDH1A1 (0.44) CA2CA4TDP1ACHETPMT
SCHEMBL3358050 0.70 PDGFRB (0.37) CA2CA4TDP1ACHECYP3A4
SCHEMBL2398559 0.70 CA2 (0.58) CA2CA4TDP1ACHEMAPT
SCHEMBL12440995 0.67 TTR (0.40) CA2CA4TDP1ACHECYP3A4

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
EP-3601436-B1 FLAME-RETARDED STYRENE-CONTAINING FORMULATIONS BROMINE COMPOUNDS LTD (IL) 2021-01-13 EP disclosed