SCHEMBL25033642

SCHEMBL25033642

COc1cc([S@](=N)(=O)C2COC2)ccc1NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDE5A O76074 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL25033302 1.00 RORC (0.39) RORCKMT2AMAPTPDE5ASMN1; SMN2
SCHEMBL25032067 0.89 KMT2A (0.40) RORCKMT2AMAPTPDE5ASMN1; SMN2
SCHEMBL25032061 0.81 PDE5A (0.43) RORCKMT2AMAPTPDE5ASMN1; SMN2
SCHEMBL25033211 0.79 TOP2B (0.48) KMT2AMAPTPDE5ASMN1; SMN2ALDH1A1
SCHEMBL25032074 0.77 KMT2A (0.40) KMT2AMAPTPDE5ASMN1; SMN2ALDH1A1
SCHEMBL25032070 0.73 KMT2A (0.38) RORCKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL25032080 0.71 RORC (0.40) RORCKMT2AMAPTPDE5ASMN1; SMN2
SCHEMBL25032062 0.71 RORC (0.40) RORCKMT2AMAPTPDE5ASMN1; SMN2
SCHEMBL25033307 0.71 LRRK2 (0.33) KMT2AMAPTSMN1; SMN2ALDH1A1LRRK2
SCHEMBL24931294 0.69 ALDH1A1 (0.50) KMT2ASMN1; SMN2ALDH1A1LMNAHPGD

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-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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