SCHEMBL21935792

SCHEMBL21935792

C/C=C\C(=C/C)c1ccc(NC(=O)CCCN2CNc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 7/20 0.35
▸ PDE4B Q07343 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 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
SCHEMBL20161623 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RXFP1MAPTMEN1
SCHEMBL21935436 0.70 RAB9A (0.52) ALDH1A1TP53HSD17B10SMN1; SMN2RXFP1
SCHEMBL4532619 0.63 ALDH1A1 (0.41) PDE4BALDH1A1MAPT
SCHEMBL21133501 0.61 TP53 (0.55) ALDH1A1TP53HTTRXFP1MAPT
SCHEMBL20161621 0.60 NPC1 (0.42) ALDH1A1TP53HTTSMN1; SMN2MAPT
SCHEMBL10587862 0.59 ALDH1A1 (0.38) ALDH1A1MAPTADORA2B
SCHEMBL16072279 0.58 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTMEN1GAA
SCHEMBL4524260 0.57 — —
SCHEMBL20543330 0.56 MAPT (0.72) ALDH1A1SMN1; SMN2MAPT
SCHEMBL21936463 0.55 APP (0.39) ALDH1A1TP53HSD17B10MAPT

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-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 — — EP disclosed
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