SCHEMBL11581000

SCHEMBL11581000

O=c1ccn(CCO)c(=S)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CRBN Q96SW2 2/20 0.38
▸ MPO P05164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DUT P33316 7/20 0.36
▸ PKM P14618 1/20 0.36
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL23323360 0.81 CRBN (0.38) ALDH1A1LMNACRBNL3MBTL1DUT
SCHEMBL41240 0.81 PKM (0.42) CRBNL3MBTL1DUTPKM
SCHEMBL2983407 0.81 ALDH1A1 (0.57) ALDH1A1LMNACRBNL3MBTL1DUT
SCHEMBL11546247 0.79 DUT (0.41) CRBNDUTPKM
SCHEMBL5792152 0.79 CRBN (0.42) ALDH1A1LMNACRBNL3MBTL1DUT
SCHEMBL16671885 0.77 HTT (0.41) CRBNDUTPKM
SCHEMBL6425133 0.77 L3MBTL1 (0.43) ALDH1A1CRBNL3MBTL1DUTPKM
SCHEMBL8656960 0.77 PKM (0.45) ALDH1A1LMNACRBNMPOL3MBTL1
SCHEMBL7752441 0.76 PKM (0.38) ALDH1A1LMNACRBNL3MBTL1DUT
SCHEMBL1673256 0.76 KMT2A (0.42) ALDH1A1LMNAL3MBTL1DUTPKM

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
US-4088751-A SHAVING CREAM, SHAMPOO, LOTION, 2-THIO-4-OXYPYRIMIDINE OR THIOHYDANTOIN AND HYDROGEN PEROXIDE, EXOTHERMIC REDOX REACTION COLGATE-PALMOLIVE COMPANY (US) 1978-05-09 — — US disclosed
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