SCHEMBL25032061

SCHEMBL25032061

COc1cc(S(C)(=N)=O)ccc1NCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TOP2B Q02880 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ IL17A Q16552 1/20 0.36

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
SCHEMBL25033211 0.89 TOP2B (0.48) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25032080 0.86 RORC (0.40) PDE5AKMT2AMAPTALDH1A1TSHR
SCHEMBL25032062 0.86 RORC (0.40) PDE5AKMT2AMAPTALDH1A1TSHR
SCHEMBL25032067 0.84 KMT2A (0.40) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25032058 0.84 PTGS2 (0.40) PDE5AKMT2ALRRK2RORC
SCHEMBL25032074 0.84 KMT2A (0.40) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25033642 0.81 RORC (0.39) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25033302 0.81 RORC (0.39) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25032057 0.80 MAPT (0.38) PDE5AKMT2AMAPTALDH1A1LMNA
SCHEMBL25033646 0.76 MAPT (0.44) MAPTALDH1A1LMNAPOLBMAPK1

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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