SCHEMBL30788513

SCHEMBL30788513

O=c1[nH]nc(CSCCCOc2cccc(Br)c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ RAB9A P51151 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SOD1 P00441 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ HMOX2 P30519 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL29126034 1.00 KMT2A (0.50) KMT2AMMP13RAB9AHTTL3MBTL1
SCHEMBL29125802 0.88 HTT (0.45) KMT2AMMP13RAB9AHTTL3MBTL1
SCHEMBL30788504 0.88 HTT (0.45) KMT2AMMP13RAB9AHTTL3MBTL1
SCHEMBL30788510 0.86 CYP1A2 (0.55) KMT2AMMP13RAB9AHTTTSHR
SCHEMBL29125714 0.86 CYP1A2 (0.55) KMT2AMMP13RAB9AHTTTSHR
SCHEMBL29125948 0.85 KMT2A (0.53) KMT2AMMP13HTTTSHRNPC1
SCHEMBL29125945 0.81 LMNA (0.40) KMT2AMMP13RAB9AL3MBTL1TSHR
SCHEMBL29128490 0.79 RAB9A (0.42) KMT2ARAB9AHTTL3MBTL1ALDH1A1
SCHEMBL29125954 0.79 LMNA (0.44) KMT2AMMP13RAB9AHTTL3MBTL1
SCHEMBL29125771 0.78 KMT2A (0.54) KMT2AMMP13HTTTSHRNPC1

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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