SCHEMBL29125682

SCHEMBL29125682

O=c1[nH]nc(CSCCCOc2ccc(Sc3ccccc3)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ MAOB P27338 1/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ PLA2G4B P0C869 1/20 0.33
▸ HCAR2 Q8TDS4 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
SCHEMBL29125948 0.90 KMT2A (0.53) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29125993 0.88 ALDH1A1 (0.44) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29125771 0.83 KMT2A (0.54) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29125781 0.77 ALDH1A1 (0.52) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29125954 0.76 LMNA (0.44) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29126034 0.76 KMT2A (0.50) KMT2AMMP13TSHRALDH1A1LMNA
SCHEMBL29125714 0.76 CYP1A2 (0.55) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL30788510 0.76 CYP1A2 (0.55) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL30788528 0.76 LMNA (0.44) KMT2AMMP13TSHRALDH1A1SMN1; SMN2
SCHEMBL29125809 0.76 TSHR (0.46) KMT2AMMP13TSHRSMN1; SMN2LMNA

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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