SCHEMBL30788492

SCHEMBL30788492

O=c1[nH]nc(CSCOc2ccc(Br)c(Br)c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ GLA P06280 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP7 P09237 1/20 0.30
▸ MMP12 P39900 1/20 0.30
▸ ADAM17 P78536 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
SCHEMBL29125931 1.00 LMNA (0.43) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL30788494 0.87 LMNA (0.32) LMNAKMT2AMMP13ALDH1A1
SCHEMBL29125952 0.87 LMNA (0.32) LMNAKMT2AMMP13ALDH1A1
SCHEMBL29125955 0.80 LMNA (0.46) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL29125913 0.79 TSHR (0.40) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL30788480 0.79 TSHR (0.40) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL29125925 0.78 KMT2A (0.47) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL30788495 0.78 KMT2A (0.47) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL29125928 0.77 TSHR (0.49) LMNATSHRKMT2AMMP13HSD17B10
SCHEMBL29128441 0.71 MAOA (0.30) —

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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