SCHEMBL29490282

SCHEMBL29490282

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4c(F)cccc4F)c3C3CC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PDE1C Q14123 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ UBE2N P61088 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARG Q86W56 1/20 0.34
▸ TRIM24 O15164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22862559 1.00 THRB (0.40) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL22862944 0.85 MAPK14 (0.38) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL22862520 0.85 GABRG2 (0.36) L3MBTL1TP53PDE1CPOLBLMNA
SCHEMBL22862432 0.85 MAPK14 (0.42) SMN1; SMN2L3MBTL1TSHRRXFP1PDE1C
SCHEMBL29490284 0.85 MAPK14 (0.42) SMN1; SMN2L3MBTL1TSHRRXFP1PDE1C
SCHEMBL22862994 0.84 KDM4E (0.37) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL22862777 0.84 KDM4E (0.37) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL22862584 0.84 THRB (0.40) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL29490250 0.84 THRB (0.40) THRBSMN1; SMN2L3MBTL1TSHRTP53
SCHEMBL22862548 0.81 POLB (0.45) SMN1; SMN2L3MBTL1TSHRRXFP1PDE1C

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-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
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