SCHEMBL29854064

SCHEMBL29854064

Cc1ccc2c(c1)S(=O)(=O)N=C2NCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX5 P09917 5/20 0.42
PTGES O14684 3/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
RAB9A P51151 2/20 0.34
EPAS1 Q99814 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
SCHEMBL29853816 0.89 GAA (0.45) HSD17B10GAAKMT2AMEN1ALOX5
SCHEMBL29853890 0.82 ALOX5 (0.47) KMT2AMEN1ALOX5PTGESSMN1; SMN2
SCHEMBL28354200 0.81 LMNA (0.52) HSD17B10GAAKMT2AMEN1POLB
SCHEMBL29695464 0.81 LMNA (0.52) HSD17B10GAAKMT2AMEN1POLB
SCHEMBL28354197 0.76 ALOX5 (0.34) ALOX5PTGES
SCHEMBL720878 0.74 ALDH1A1 (0.42) HSD17B10GAAKMT2AMEN1SMN1; SMN2
SCHEMBL8285723 0.71 GAA (0.42) HSD17B10GAAKMT2AMEN1ALOX5
SCHEMBL28353850 0.69 AAK1 (0.33) POLB
SCHEMBL18726137 0.68 GAA (0.40) HSD17B10GAAKMT2AMEN1ALOX5
SCHEMBL28631266 0.68 MAPT (0.57) HSD17B10GAAKMT2AMEN1ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN claimed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed