SCHEMBL21622686

SCHEMBL21622686

Brc1cc(-c2cc(Br)cc3c2oc2ccccc23)c2oc3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
AHR P35869 3/20 0.49
DYRK1A Q13627 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NMUR2 Q9GZQ4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TNKS O95271 1/20 0.40
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 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
SCHEMBL19607037 0.93 ALOX5 (0.60) ALOX5AHRDYRK1ANMUR2TNKS
SCHEMBL18164827 0.90 ALOX5 (0.45) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL25905277 0.85 ALOX5 (0.48) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL19607030 0.85 ALOX5 (0.48) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL2412683 0.85 AHR (0.49) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL31671127 0.85 AHR (0.49) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL21842365 0.82 ALOX5 (0.46) ALOX5AHRMAPTMEN1KMT2A
SCHEMBL29311806 0.82 MAPT (0.41) ALOX5AHRMAPTMEN1KMT2A
SCHEMBL23812753 0.81 AHR (0.46) ALOX5AHRDYRK1AMAPTMEN1
SCHEMBL21622657 0.81 AHR (0.59) ALOX5AHRMAPTMEN1KMT2A

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
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed