SCHEMBL29125779

SCHEMBL29125779

Fc1ccc(OC(F)CSCc2n[nH]c(=S)o2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL29125907 0.87 P2RX3 (0.38) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125732 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125728 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125719 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125730 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125896 0.69 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125775 0.68 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125785 0.68 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125959 0.65 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL29125837 0.61 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHSD17B10BACE1

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
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