SCHEMBL29125814

SCHEMBL29125814

Cc1ccc(OCSCc2n[nH]c(=S)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ GAA P10253 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NSD3 Q9BZ95 1/20 0.33
▸ AR P10275 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
SCHEMBL29125955 0.86 LMNA (0.46) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL29125952 0.80 LMNA (0.32) ALDH1A1KMT2AHPGDLMNA
SCHEMBL30788494 0.80 LMNA (0.32) ALDH1A1KMT2AHPGDLMNA
SCHEMBL30788508 0.79 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL29125882 0.79 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL30788471 0.76 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29125904 0.76 KMT2A (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29125894 0.72 GRM4 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29125815 0.72 TSHR (0.33) LMNAHTT
SCHEMBL29125801 0.71 ALDH1A1 (0.60) SMN1; SMN2GAAALDH1A1MEN1KMT2A

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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