SCHEMBL31198184

SCHEMBL31198184

O=C(Nc1ccc(O)cc1)c1ccsc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.72
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ KCNK3 O14649 1/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.58
▸ NQO2 P16083 2/20 0.58
▸ HDAC1 Q13547 1/20 0.56
▸ ESRRG P62508 1/20 0.56
▸ DEGS1 O15121 2/20 0.51
▸ SNCA P37840 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GRM4 Q14833 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ DAO P14920 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ TOP1 P11387 1/20 0.46

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
SCHEMBL27652929 0.85 HPGD (0.76) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL12297409 0.84 KCNK3 (0.57) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL7715873 0.84 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL16692729 0.84 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL15070509 0.84 HPGD (0.70) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL28078808 0.84 GAA (0.56) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL6623847 0.84 HPGD (1.00) HPGDNPC1RAB9AKCNK3KCNK9
Hydrochloric Acid SCHEMBL27518063 0.83 HPGD (0.68) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL21114830 0.81 HPGD (0.66) HPGDNPC1RAB9AKCNK3KCNK9
SCHEMBL18010168 0.80 HPGD (0.64) HPGDNPC1RAB9AKCNK3KCNK9

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-119080631-A Method for preparing N-aryl amide compound by catalyzing nitrite-mediated selenium 浙江工业大学 2024-12-06 — — CN disclosed
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