SCHEMBL29126032

SCHEMBL29126032

O=c1[nH]nc(CSCOc2cccc(Cl)c2Cl)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ KMT2A Q03164 3/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL29125889 0.87 TSHR (0.41) TSHRKMT2AHTTMRGPRX4KDM4E
SCHEMBL29125928 0.79 TSHR (0.49) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125688 0.76 TSHR (0.46) TSHRKMT2AMMP13HTTHSD17B10
SCHEMBL30788495 0.72 KMT2A (0.47) TSHRKMT2AMMP13HSD17B10KDM4E
SCHEMBL29125925 0.72 KMT2A (0.47) TSHRKMT2AMMP13HSD17B10KDM4E
SCHEMBL29125795 0.72 TSHR (0.41) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125683 0.71 TSHR (0.51) TSHRKMT2AHTTKDM4ETP53
SCHEMBL29125955 0.70 LMNA (0.46) TSHRKMT2AMMP13HTTHSD17B10
SCHEMBL29125931 0.68 LMNA (0.43) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL4049551 0.65 TSHR (0.63) TSHRKMT2AMMP13HSD17B10ALDH1A1

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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