SCHEMBL29125737

SCHEMBL29125737

O=c1[nH]nc(CSCC(F)Oc2ccc(F)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ DAO P14920 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL29125864 0.87 — —
SCHEMBL29125832 0.85 KMT2A (0.45) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125676 0.73 KMT2A (0.34) KMT2AMMP13
SCHEMBL29125813 0.71 TSHR (0.46) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125693 0.71 TSHR (0.46) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125853 0.70 DAO (0.45) DAO
SCHEMBL29125718 0.68 TSHR (0.46) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29126036 0.68 TSHR (0.46) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL29125947 0.68 TSHR (0.40) TSHRKMT2AMMP13HSD17B10ALDH1A1
SCHEMBL4049551 0.62 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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