SCHEMBL29125813

SCHEMBL29125813

O=c1[nH]nc(CSCC(F)COc2ccccc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ DAO P14920 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TACR1 P25103 4/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL29125736 0.88 ALDH1A1 (0.38) TSHRKMT2AMMP13DAOHSD17B10
SCHEMBL29125771 0.78 KMT2A (0.54) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125948 0.76 KMT2A (0.53) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125693 0.75 TSHR (0.46) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125947 0.74 TSHR (0.40) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29126056 0.72 TSHR (0.43) TSHRKMT2AMMP13HSD17B10LMNA
SCHEMBL29125832 0.72 KMT2A (0.45) TSHRKMT2AMMP13DAOHSD17B10
SCHEMBL29125822 0.72 RAB9A (0.54) TSHRKMT2ADAORAB9AMMP2
SCHEMBL29128422 0.72 ALDH1A1 (0.32) KMT2AHSD17B10LMNAALDH1A1
SCHEMBL29125737 0.71 TSHR (0.41) TSHRKMT2AMMP13DAOHSD17B10

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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