SCHEMBL30227961

SCHEMBL30227961

C[C@@H](Nc1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ CCNT1 O60563 5/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CCNA2 P20248 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ PTGS2 P35354 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ FPR2 P25090 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TP53 P04637 2/20 0.37

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
SCHEMBL30227987 0.92 DPP4 (0.45) KDM4EHPGDALDH1A1CCNT1CDK9
SCHEMBL30228249 0.84 NPC1 (0.42) KDM4EHPGDALDH1A1L3MBTL1GAA
SCHEMBL30227932 0.82 ALDH1A1 (0.43) KDM4EHPGDALDH1A1CCNT1CDK9
SCHEMBL30228221 0.82 NPC1 (0.40) KDM4EHPGDALDH1A1GAANPC1
SCHEMBL30228041 0.80 KDM4E (0.43) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL30227908 0.80 ALDH1A1 (0.44) KDM4EHPGDALDH1A1L3MBTL1NPC1
SCHEMBL30360867 0.76 ALDH1A1 (0.55) KDM4EHPGDALDH1A1PTGS2DPP4
SCHEMBL26504356 0.76 ALDH1A1 (0.55) KDM4EHPGDALDH1A1PTGS2DPP4
SCHEMBL30228316 0.75 SLC18A1 (0.47) KDM4EHPGDALDH1A1L3MBTL1MAPT
SCHEMBL20839474 0.75 ALDH1A1 (0.54) KDM4EHPGDALDH1A1PTGS2DPP4

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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