SCHEMBL29125900

SCHEMBL29125900

CCC(Oc1ccc(Br)cc1Br)SCc1n[nH]c(=S)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAPK1 P28482 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL29125950 0.89 LMNA (0.37) LMNASMN1; SMN2ATMNPC1MAPK1
SCHEMBL29125811 0.82 ADORA2A (0.34) LMNAALDH1A1L3MBTL1APOBEC3GKDM4E
SCHEMBL29125881 0.80 KMT2A (0.31) TSHRL3MBTL1HPGD
SCHEMBL29128364 0.80 LMNA (0.34) LMNASMN1; SMN2ATMMAPK1TSHR
SCHEMBL29125743 0.77 TTR (0.33) ALDH1A1TDP1L3MBTL1APOBEC3GKDM4E
SCHEMBL29125786 0.76 KDM4E (0.35) LMNASMN1; SMN2ALDH1A1APOBEC3GKDM4E
SCHEMBL29128522 0.75 LMNA (0.36) LMNASMN1; SMN2ATMNPC1MAPK1
SCHEMBL29125778 0.74 NPC1 (0.30) NPC1RAB9A
SCHEMBL29125854 0.74 ENPP3 (0.44) LMNASMN1; SMN2MAPK1TSHRALDH1A1
SCHEMBL29125715 0.73 ADRA2A (0.36) TSHR

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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