SCHEMBL29125836

SCHEMBL29125836

CC(Oc1cc(F)ccc1F)SCc1n[nH]c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TACR1 P25103 2/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ FPR1 P21462 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ GPR183 P32249 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ GPR65 Q8IYL9 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTR1A P08908 1/20 0.31

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
SCHEMBL29125740 0.91 KMT2A (0.36) TSHRCCNT1CDK9KMT2AHSD17B10
SCHEMBL29125680 0.88 HTR1A (0.31) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL29128472 0.79 TACR1 (0.33) DAOTACR1
SCHEMBL29125869 0.79 MEN1 (0.34) KMT2A
SCHEMBL29125699 0.76 TSHR (0.39) TSHRKMT2AHSD17B10TACR1LMNA
SCHEMBL29125839 0.76 KMT2A (0.40) TSHRKMT2AHSD17B10DAOTACR1
SCHEMBL29125824 0.75 TSHR (0.40) TSHRCCNT1CDK9KMT2AHSD17B10
SCHEMBL29125777 0.75 TSHR (0.44) TSHRKMT2ADAOTACR1LMNA
SCHEMBL29125863 0.74 KMT2A (0.49) TSHRKMT2AHSD17B10LMNAKDM4E
SCHEMBL29125816 0.74 TSHR (0.39) TSHRKMT2AHSD17B10DAOTACR1

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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