SCHEMBL29125953

SCHEMBL29125953

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ GLA P06280 1/20 0.45
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CA5A P35218 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
SCHEMBL24417341 0.79 GLA (0.55) TSHRGLALMNAKMT2AHSD17B10
SCHEMBL29125885 0.79 TSHR (0.36) TSHR
SCHEMBL265211 0.75 — —
SCHEMBL4049551 0.72 TSHR (0.63) TSHRGLALMNAKMT2AHSD17B10
SCHEMBL21961228 0.69 TSHR (0.57) TSHRGLALMNAKMT2AHSD17B10
SCHEMBL29125929 0.66 TSHR (0.48) TSHRGLALMNAKMT2AHSD17B10
SCHEMBL10259254 0.66 — —
SCHEMBL25270483 0.66 — —
SCHEMBL523944 0.66 — —
SCHEMBL29125771 0.66 KMT2A (0.54) TSHRLMNAKMT2AALDH1A1MMP13

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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