SCHEMBL29125764

SCHEMBL29125764

S=c1[nH]nc(CSCC(Br)Oc2ccccc2Br)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ LMNA P02545 2/20 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
SCHEMBL29125932 0.88 TSHR (0.45) TSHRHTR1AADRA2AADRA2BADRA2C
SCHEMBL29125894 0.80 GRM4 (0.36) TSHRHTR1AADRA2AADRA2BADRA2C
SCHEMBL29128506 0.78 — —
SCHEMBL29128341 0.73 GRM4 (0.31) GRM4LMNA
SCHEMBL29125735 0.73 TSHR (0.32) TSHR
SCHEMBL29125808 0.72 ALDH1A1 (0.38) TSHRLMNA
SCHEMBL29125983 0.69 KDM4E (0.34) TSHR
SCHEMBL29125759 0.68 ALDH1A1 (0.39) TSHRLMNA
SCHEMBL29125864 0.68 — —
SCHEMBL29125694 0.67 RAB9A (0.51) TSHRLMNA

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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