SCHEMBL29125851

SCHEMBL29125851

CCc1ccc(OCSCc2n[nH]c(=S)o2)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL29125944 0.87 NOTUM (0.41) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL29125817 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125843 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29128551 0.79 DAO (0.32) —
SCHEMBL29125751 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125880 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125941 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125719 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125896 0.72 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL29125926 0.71 NOTUM (0.38) ALDH1A1KDM4EHSD17B10MTNR1B

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
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
Send feedback