SCHEMBL22862518

SCHEMBL22862518

Cn1c(=O)oc2ccc(Cn3cnc(C4CC4)c3C3C(F)=CC=CC3F)cc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.33
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ KCNJ1 P48048 4/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ USP1 O94782 1/20 0.31
▸ PDE1C Q14123 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL22862870 0.76 RAD52 (0.37) RAD52GABRG2GABRB3GABRA5KCNJ1
SCHEMBL22862520 0.74 GABRG2 (0.36) GABRG2GABRB3GABRA5KCNJ1DDB1
SCHEMBL22862779 0.65 TRIM24 (0.40) RAD52MEN1KMT2A
SCHEMBL29490202 0.65 TRIM24 (0.42) RAD52MEN1KMT2A
SCHEMBL22862638 0.65 TRIM24 (0.42) RAD52MEN1KMT2A
SCHEMBL22862953 0.65 TRIM24 (0.42) RAD52MEN1KMT2A
SCHEMBL29490310 0.65 TRIM24 (0.42) RAD52MEN1KMT2A
SCHEMBL22862856 0.64 SMN1; SMN2 (0.37) RAD52PDE1CMEN1KMT2A
SCHEMBL29490177 0.64 SMN1; SMN2 (0.37) RAD52PDE1CMEN1KMT2A
SCHEMBL22862855 0.62 SMN1; SMN2 (0.37) PDE1CMEN1KMT2A

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
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — WO disclosed
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