SCHEMBL25735409

SCHEMBL25735409

CCOC(=O)c1nn(-c2nc(N3CCOCC3)c3nc(-c4ccncc4)n(CC)c3n2)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.45
▸ KDM4E B2RXH2 14/20 0.45
▸ HPGD P15428 13/20 0.45
▸ HSD17B10 Q99714 13/20 0.45
▸ CYP3A4 P08684 7/20 0.45
▸ TSHR P16473 2/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ DGAT1 O75907 3/20 0.41
▸ SOAT1 P35610 3/20 0.41
▸ MTOR P42345 1/20 0.40

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
SCHEMBL30440040 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31339130 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31730838 0.89 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25733234 0.89 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25234378 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25236829 0.87 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25236542 0.86 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25228995 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25275397 0.83 LMNA (0.55) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25233640 0.83 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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