SCHEMBL22862776

SCHEMBL22862776

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4cccc(OCCI)c4)c3C3CC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPK14 Q16539 4/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ ADORA2A P29274 6/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADORA1 P30542 5/20 0.33
▸ POLB P06746 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ UBE2N P61088 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ USP1 O94782 1/20 0.32
▸ TRPC5 Q9UL62 1/20 0.32
▸ RAD52 P43351 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
SCHEMBL24704109 0.92 BACE1 (0.38) TP53RXFP1MAPK14TRIM24ADORA2A
SCHEMBL29490284 0.84 MAPK14 (0.42) RXFP1MAPK14TRIM24SMN1; SMN2POLB
SCHEMBL22862432 0.84 MAPK14 (0.42) RXFP1MAPK14TRIM24SMN1; SMN2POLB
SCHEMBL22862944 0.81 MAPK14 (0.38) TP53MAPK14TRIM24SMN1; SMN2POLB
SCHEMBL22862559 0.80 THRB (0.40) TP53RXFP1TRIM24SMN1; SMN2POLB
SCHEMBL29490282 0.80 THRB (0.40) TP53RXFP1TRIM24SMN1; SMN2POLB
SCHEMBL29490287 0.75 POLB (0.45) RXFP1MAPK14SMN1; SMN2POLBGLA
SCHEMBL22862548 0.75 POLB (0.45) RXFP1MAPK14SMN1; SMN2POLBGLA
SCHEMBL22862915 0.73 SMN1; SMN2 (0.33) TRIM24SMN1; SMN2POLBGLAHTT
SCHEMBL22862640 0.73 SMN1; SMN2 (0.41) TP53TRIM24SMN1; SMN2POLBGLA

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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