SCHEMBL31757258

SCHEMBL31757258

CC(C)(C)OC(=O)c1cc(I)ccc1CBr

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 3/20 0.40
▸ GABRB3 P28472 3/20 0.40
▸ GABRA5 P31644 3/20 0.40
▸ GABRA1 P14867 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ GABRA2 P47869 2/20 0.40
▸ EGFR P00533 1/20 0.38
▸ RXRA P19793 8/20 0.37
▸ NR1H2 P55055 8/20 0.37
▸ NR1H3 Q13133 6/20 0.37
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ GABRA6 Q16445 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.32

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
SCHEMBL19810435 0.83 ALDH1A1 (0.41) —
SCHEMBL20166010 0.82 ALOX5 (0.38) EGFRRXRANR1H2NR1H3SLC7A5
SCHEMBL31757278 0.82 GABRA1 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5223836 0.80 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL1678931 0.79 RXRA (0.57) EGFRRXRANR1H2NR1H3
SCHEMBL3564657 0.79 GABRA1 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12903047 0.78 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL319240 0.78 ALDH1A1 (0.45) EGFR
SCHEMBL9600264 0.78 EGFR (0.50) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5619767 0.78 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3

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-4674843-A1 TETRAZINE ANALOGUES FOR THERANOSTIC APPLICATION University of Copenhagen (DK) 2026-01-07 — — EP disclosed
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