SCHEMBL29125809

SCHEMBL29125809

O=c1[nH]nc(CSCCCOc2ccccc2F)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ TTR P02766 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL29125731 0.88 TTR (0.44) TSHRTTRKMT2AMEN1CYP1A2
SCHEMBL29125948 0.82 KMT2A (0.53) TSHRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL29125824 0.81 TSHR (0.40) TSHRTTRKMT2AMEN1MMP13
SCHEMBL29125734 0.81 TSHR (0.40) TSHRKMT2AMEN1MMP13KDM4E
SCHEMBL29126018 0.78 TSHR (0.39) TSHRKMT2AMMP13HTTLMNA
SCHEMBL29126054 0.77 TSHR (0.39) TSHRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL29125682 0.76 KMT2A (0.45) TSHRKMT2AMEN1HCAR2MMP13
SCHEMBL29125687 0.76 TSHR (0.44) TSHRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL29126003 0.75 TSHR (0.49) TSHRKMT2AMEN1CYP1A2CYP2D6
SCHEMBL29125771 0.75 KMT2A (0.54) TSHRKMT2AMEN1CYP1A2CYP2D6

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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