SCHEMBL29125797

SCHEMBL29125797

O=c1[nH]nc(CSCC(F)COc2ccc(F)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MTNR1B P49286 2/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 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
SCHEMBL29125730 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAA
SCHEMBL29128392 0.80 DAO (0.31) —
SCHEMBL29125750 0.75 ALDH1A1 (0.46) NOTUMALDH1A1MTNR1BSORT1KMT2A
SCHEMBL29125927 0.75 ALDH1A1 (0.46) NOTUMALDH1A1MTNR1BSORT1KMT2A
SCHEMBL29128334 0.73 — —
SCHEMBL29125907 0.73 P2RX3 (0.38) NOTUMALDH1A1SORT1MEN1KMT2A
SCHEMBL29125742 0.70 NOTUM (0.39) NOTUMALDH1A1MTNR1BSORT1MTNR1A
SCHEMBL29125677 0.69 NOTUM (0.40) NOTUMALDH1A1MTNR1BSORT1MTNR1A
SCHEMBL29125739 0.68 NOTUM (0.43) NOTUMALDH1A1MEN1KMT2AGAA
SCHEMBL29126043 0.68 ALDH1A1 (0.72) NOTUMALDH1A1MEN1KMT2AGAA

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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