SCHEMBL29125786

SCHEMBL29125786

CCC(Oc1ccccc1)SCc1n[nH]c(=S)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 8/20 0.34
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 5/20 0.32
▸ GAA P10253 3/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ APOBEC3G Q9HC16 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
SCHEMBL29125997 0.91 GAA (0.30) GAASMN1; SMN2
SCHEMBL29125951 0.87 TSHR (0.42) ALDH1A1ADORA3ADORA2AADORA1RAB9A
SCHEMBL29125854 0.87 ENPP3 (0.44) KDM4EALDH1A1ADORA3ADORA2AHPGD
SCHEMBL29125811 0.86 ADORA2A (0.34) KDM4EALDH1A1ADORA2AADORA1RAB9A
SCHEMBL29125804 0.84 ALDH1A1 (0.36) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL29125743 0.83 TTR (0.33) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL29125778 0.82 NPC1 (0.30) RAB9A
SCHEMBL29125715 0.81 ADRA2A (0.36) —
SCHEMBL29125686 0.78 TSHR (0.38) ALDH1A1HPGDLMNA
SCHEMBL29125909 0.77 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAAHSD17B10

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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