SCHEMBL29128498

SCHEMBL29128498

S=c1[nH]cc(COc2ccccc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ APP P05067 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL30799956 0.86 LTA4H (0.40) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL29128217 0.86 LTA4H (0.40) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL29128450 0.83 APP (0.41) GAAKDM4ENPC1RAB9AKMT2A
SCHEMBL30799885 0.81 KDM4C (0.44) DAONPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL29128378 0.81 KDM4C (0.44) DAONPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL29128201 0.79 RXRA (0.41) GAAKDM4ENPC1RAB9AMEN1
SCHEMBL29128393 0.79 DAO (0.50) DAORAB9AKDM4AALDH1A1ALOX15
SCHEMBL29128486 0.77 HTR1A (0.42) GAAKDM4EGFERNPC1RAB9A
SCHEMBL29128496 0.77 NPC1 (0.44) KDM4ENPC1RAB9AKMT2ATSHR
SCHEMBL30799958 0.76 GAA (0.42) GAANPC1RAB9AMEN1KMT2A

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-117263862-A Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof 吉首大学 2023-12-22 — — CN disclosed
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