SCHEMBL21622675

SCHEMBL21622675

Brc1cc(I)c2oc3c(I)cccc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.36
▸ TNKS O95271 1/20 0.33
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 1/20 0.31
▸ GABRA6 Q16445 1/20 0.31
▸ GABRG1 Q8N1C3 1/20 0.31
▸ GABRG3 Q99928 1/20 0.31
▸ GABRQ Q9UN88 1/20 0.31
▸ GPR35 Q9HC97 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
SCHEMBL29819424 0.80 AHR (0.46) AHRTNKSGABRPGABRDGABRA1
SCHEMBL12610390 0.80 AHR (0.46) AHRTNKSGABRPGABRDGABRA1
SCHEMBL18820608 0.79 PIM1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30138112 0.79 PIM1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29709172 0.79 LOXL2 (0.40) AHR
SCHEMBL18820546 0.79 LOXL2 (0.40) AHR
SCHEMBL23407543 0.75 DYRK1A (0.38) AHRTNKSGABRPGABRDGABRA1
SCHEMBL20033047 0.73 AHR (0.38) AHR
SCHEMBL25632930 0.71 CSNK2A2 (0.40) AHR
SCHEMBL24627319 0.71 AHR (0.56) AHR

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
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