SCHEMBL25033211

SCHEMBL25033211

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2B Q02880 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LRRK2 Q5S007 2/20 0.44
▸ PTGS2 P35354 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL25032061 0.89 PDE5A (0.43) TOP2BSMN1; SMN2MAPTKMT2ALRRK2
SCHEMBL25033617 0.85 PTGS2 (0.42) TOP2BSMN1; SMN2KMT2ALRRK2PTGS2
SCHEMBL25032057 0.82 MAPT (0.38) TOP2BSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL25032067 0.81 KMT2A (0.40) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL25032074 0.81 KMT2A (0.40) SMN1; SMN2MAPTKMT2ALRRK2PTGS2
SCHEMBL23144748 0.79 TOP2B (0.48) TOP2BSMN1; SMN2LRRK2IRAK4ALDH1A1
SCHEMBL29397321 0.79 TTK (0.46) TOP2BLRRK2PTGS2MAPK1PDE5A
SCHEMBL25033642 0.79 RORC (0.39) SMN1; SMN2MAPTKMT2ALRRK2ALDH1A1
SCHEMBL24035187 0.78 TOP2B (0.50) TOP2BSMN1; SMN2MAPTLRRK2IRAK4
SCHEMBL30295655 0.78 TOP2B (0.50) TOP2BSMN1; SMN2MAPTLRRK2IRAK4

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
Send feedback