SCHEMBL29125897

SCHEMBL29125897

S=c1[nH]nc(CSCC(Br)COc2ccc(Br)cc2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALPL P05186 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL29125947 0.88 TSHR (0.40) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL29128361 0.78 MAPT (0.30) MAPT
SCHEMBL29125736 0.74 ALDH1A1 (0.38) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL29128521 0.73 MAPT (0.30) MAPT
SCHEMBL29125877 0.73 NPC1 (0.42) GAANPC1RAB9AKMT2AKDM4E
SCHEMBL29125814 0.69 SMN1; SMN2 (0.41) GAANPC1RAB9AKMT2AKDM4E
SCHEMBL29125952 0.68 LMNA (0.32) KMT2ALMNA
SCHEMBL30788494 0.68 LMNA (0.32) KMT2ALMNA
SCHEMBL29125764 0.68 TSHR (0.32) LMNA
SCHEMBL29125864 0.68 — —

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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