SCHEMBL29125782

SCHEMBL29125782

O=c1[nH]nc(CSCCCOc2c(Cl)cc(Cl)cc2Cl)o1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NOTUM Q6P988 8/20 0.32
▸ SORT1 Q99523 1/20 0.31
▸ S1PR4 O95977 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
SCHEMBL29125823 0.85 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL29125675 0.79 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL29125916 0.76 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EMAPTNOTUM
SCHEMBL29125906 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENOTUMSORT1
SCHEMBL29125923 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL29125870 0.73 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2AHTT
SCHEMBL29126012 0.73 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL30788479 0.73 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EKMT2AHTT
SCHEMBL29125790 0.73 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENOTUM
SCHEMBL29125821 0.67 SORT1 (0.44) ALDH1A1LMNAKDM4ENOTUMSORT1

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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