SCHEMBL30228244

SCHEMBL30228244

COC(=O)C(C#N)=Cc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL30228199 0.78 KCNA3 (0.50) KCNA3KDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL30228068 0.78 KCNA3 (0.45) KCNA3KDM4EALDH1A1MAPTKMT2A
SCHEMBL30228100 0.77 KCNA3 (0.46) KCNA3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL30228220 0.77 KCNA3 (0.48) KCNA3KDM4EALDH1A1MAPTKMT2A
SCHEMBL30228119 0.75 KCNA3 (0.56) KCNA3KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL30228357 0.75 KCNA3 (0.46) KCNA3KDM4EALDH1A1L3MBTL1CA12
SCHEMBL30228352 0.74 KCNA3 (0.55) KCNA3KDM4EALDH1A1KMT2ATDP1
SCHEMBL30231784 0.71 KDM4E (0.67) KCNA3KDM4EALDH1A1MAPTKMT2A
SCHEMBL22431749 0.70 CA12 (0.70) KCNA3KDM4EALDH1A1KMT2ACA12
SCHEMBL30228248 0.70 CA12 (0.70) KCNA3KDM4EALDH1A1KMT2ACA12

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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