SCHEMBL29490265

SCHEMBL29490265

Cn1c(=O)n(C)c2cc(Cn3cnc(C4CC4)c3-c3cc(Cl)ccc3Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ UBE2N P61088 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ DRD2 P14416 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GABRA1 P14867 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
SCHEMBL22862639 1.00 POLB (0.42) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL29490210 0.89 POLB (0.49) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL22862547 0.89 POLB (0.49) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL22862640 0.85 SMN1; SMN2 (0.41) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL29490281 0.85 SMN1; SMN2 (0.41) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL22862773 0.83 CYP11B2 (0.38) SMN1; SMN2LMNAHTTUBE2NMAPK1
SCHEMBL22862941 0.81 CYP11B2 (0.38) SMN1; SMN2LMNAHTTUBE2NL3MBTL1
SCHEMBL22862945 0.79 RAD52 (0.38) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL22862584 0.78 THRB (0.40) POLBSMN1; SMN2LMNAHTTUBE2N
SCHEMBL29490250 0.78 THRB (0.40) POLBSMN1; SMN2LMNAHTTUBE2N

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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