SCHEMBL30228240

SCHEMBL30228240

CC[C@@H](Nc1ccc2c(-c3ccccc3C)cc(=O)oc2c1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.45
▸ KCNA3 P22001 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL30228415 1.00 TDP1 (0.45) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL31710921 1.00 TDP1 (0.45) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228413 0.91 ALDH1A1 (0.51) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228444 0.91 ALDH1A1 (0.51) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228496 0.89 POLB (0.44) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228206 0.89 POLB (0.44) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228031 0.86 KCNA3 (0.47) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30227888 0.86 TDP1 (0.41) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30227861 0.86 TDP1 (0.41) TDP1KCNA3ALDH1A1LMNAL3MBTL1
SCHEMBL30228281 0.82 ALDH1A1 (0.48) TDP1KCNA3ALDH1A1LMNAL3MBTL1

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-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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