SCHEMBL29490287

SCHEMBL29490287

Cn1c(=O)n(C)c2cc(Cn3cnc(-c4ccccc4Cl)c3C3CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ UBE2N P61088 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.37
▸ ADORA2B P29275 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL22862548 1.00 POLB (0.45) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490281 0.89 SMN1; SMN2 (0.41) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862640 0.89 SMN1; SMN2 (0.41) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862432 0.86 MAPK14 (0.42) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490284 0.86 MAPK14 (0.42) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL29490210 0.84 POLB (0.49) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862547 0.84 POLB (0.49) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862771 0.84 CASR (0.38) POLBSMN1; SMN2HTTUBE2NLMNA
SCHEMBL22862469 0.83 CYP11B1 (0.39) SMN1; SMN2HTTLMNAMAPK1PDE2A
SCHEMBL22862545 0.83 PDE2A (0.41) POLBSMN1; SMN2HTTLMNADCTPP1

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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