SCHEMBL29125734

SCHEMBL29125734

O=c1[nH]nc(CSCCOc2ccc(F)cc2F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL29125824 0.90 TSHR (0.40) TSHRKMT2AHSD17B10LMNAMMP13
SCHEMBL29125862 0.88 ALDH1A1 (0.40) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL29125809 0.81 TSHR (0.46) TSHRKMT2ALMNAMMP13HTT
SCHEMBL29125672 0.78 KDM4E (0.40) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL29125858 0.75 KMT2A (0.52) TSHRKMT2AHSD17B10LMNAMMP13
SCHEMBL30788491 0.75 KMT2A (0.52) TSHRKMT2AHSD17B10LMNAMMP13
SCHEMBL29125740 0.75 KMT2A (0.36) TSHRKMT2AHSD17B10MEN1HPGD
SCHEMBL29125687 0.75 TSHR (0.44) TSHRKMT2AHSD17B10LMNAMMP13
SCHEMBL29125771 0.74 KMT2A (0.54) TSHRKMT2ALMNAMMP13HTT
SCHEMBL29125829 0.74 KMT2A (0.44) TSHRKMT2AHSD17B10LMNAMMP13

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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