SCHEMBL29128178

SCHEMBL29128178

O=c1[nH]cc(CSCCOc2ccc(I)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ APP P05067 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ DPYD Q12882 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
SCHEMBL29128326 0.84 ALDH1A1 (0.37) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29128476 0.81 DPYD (0.33) KDM4EMAPTALDH1A1HTTDPYD
SCHEMBL29128313 0.81 CYP1A2 (0.32) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30800062 0.81 CYP1A2 (0.32) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29128527 0.80 HCAR2 (0.36) KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29128546 0.80 KCNA3 (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1GPR84
SCHEMBL29128461 0.79 LTA4H (0.46) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29128397 0.77 DAO (0.44) KDM4EALDH1A1MEN1KMT2ADPYD
SCHEMBL29128419 0.77 SMN1; SMN2 (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30799972 0.77 DAO (0.44) KDM4EALDH1A1MEN1KMT2ADPYD

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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