SCHEMBL29125929

SCHEMBL29125929

O=c1[nH]nc(CSCCOc2c(Br)cccc2Br)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ KMT2A Q03164 3/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ LMNA P02545 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL29125759 0.87 ALDH1A1 (0.39) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125758 0.84 TSHR (0.45) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125771 0.80 KMT2A (0.54) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29126003 0.77 TSHR (0.49) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29128339 0.76 USP2 (0.32) KMT2ALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL30788513 0.75 KMT2A (0.50) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29126034 0.75 KMT2A (0.50) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125928 0.75 TSHR (0.49) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL30788511 0.74 TSHR (0.49) TSHRKMT2AMMP13LMNAALDH1A1
SCHEMBL29125948 0.73 KMT2A (0.53) TSHRKMT2AMMP13LMNAALDH1A1

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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