SCHEMBL29490249

SCHEMBL29490249

Cn1c(=O)n(C)c2cc(Cn3cnc(C4CCOC4)c3C3CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE1C Q14123 4/20 0.35
▸ PDE1A P54750 3/20 0.35
▸ PDE1B Q01064 3/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ TRIM24 O15164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 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
SCHEMBL22862855 1.00 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490177 0.96 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862856 0.96 SMN1; SMN2 (0.37) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862779 0.86 TRIM24 (0.40) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490310 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862638 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862953 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL29490202 0.86 TRIM24 (0.42) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL24704281 0.83 SMN1; SMN2 (0.35) SMN1; SMN2TSHRL3MBTL1LMNAHTT
SCHEMBL22862567 0.78 CSF1R (0.36) LMNAHTTNTRK1CSF1RNTRK2

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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