SCHEMBL24214285

SCHEMBL24214285

CC(C)(C)OC(=O)NCCC(F)(F)Sc1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.45
▸ BCHE P06276 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RECQL P46063 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL24214331 0.80 HDAC3 (0.47) ALOX5MAPTLMNAALDH1A1NPC1
SCHEMBL24214288 0.78 BCHE (0.43) BCHEMAPTLMNAALDH1A1NPC1
SCHEMBL24214327 0.78 ALDH1A1 (0.50) ALOX5BCHEMAPTLMNAALDH1A1
SCHEMBL1981436 0.75 BCHE (0.58) BCHEMAPTLMNAALDH1A1NPC1
SCHEMBL5068294 0.74 ALDH1A1 (0.53) BCHEMAPTLMNAALDH1A1NPC1
SCHEMBL3255804 0.73 BCHE (0.50) ALOX5BCHEMAPTLMNAALDH1A1
SCHEMBL4159541 0.73 HPGD (0.55) BCHEMAPTLMNAALDH1A1NPC1
SCHEMBL9099206 0.72 ALDH1A1 (0.54) ALOX5MAPTLMNAALDH1A1NPC1
SCHEMBL9099219 0.72 ALDH1A1 (0.54) ALOX5MAPTLMNAALDH1A1NPC1
SCHEMBL19385934 0.71 HPGD (0.69) ALOX5MAPTLMNAALDH1A1NPC1

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
WO-2022013564-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2022-01-20 — — WO disclosed
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