SCHEMBL29125907

SCHEMBL29125907

O=c1[nH]nc(CSCC(F)Oc2ccc(F)cc2F)o1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.38
▸ NOTUM Q6P988 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ AKR1B1 P15121 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
SCHEMBL29125779 0.87 ALDH1A1 (0.44) MEN1MAPTHPGDKMT2AALDH1A1
SCHEMBL29125800 0.79 P2RX3 (0.39) P2RX3NOTUMMEN1MAPTHPGD
SCHEMBL29125790 0.79 ALDH1A1 (0.43) NOTUMALDH1A1ALOX15TSHRKDM4E
SCHEMBL29125967 0.74 NOTUM (0.37) P2RX3NOTUMSORT1ALDH1A1KDM4E
SCHEMBL29125797 0.73 NOTUM (0.38) NOTUMMEN1KMT2ASORT1ALDH1A1
SCHEMBL29125739 0.69 NOTUM (0.43) NOTUMMEN1MAPTHPGDKMT2A
SCHEMBL29125906 0.68 ALDH1A1 (0.43) NOTUMSORT1ALDH1A1KDM4ELMNA
SCHEMBL29125914 0.68 SORT1 (0.40) P2RX3NOTUMSORT1ALDH1A1KDM4E
SCHEMBL29125742 0.66 NOTUM (0.39) NOTUMSORT1ALDH1A1
SCHEMBL24417342 0.61 SORT1 (0.49) NOTUMSORT1

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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