SCHEMBL28664307

SCHEMBL28664307

CC(C)(NC(=O)c1ccc(Cl)c(Cl)c1)c1cn(CCOS(C)(=O)=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35

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
SCHEMBL28649850 0.87 KCNH2 (0.35) KMT2AMEN1PTGS2FLT1FLT4
SCHEMBL28655200 0.85 HPGD (0.43) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL28664297 0.84 MAPT (0.40) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL28654355 0.83 PTGS2 (0.33) PTGS2KCNH2
SCHEMBL28650916 0.83 GAA (0.38) MAPTKMT2AALDH1A1MEN1RECQL
SCHEMBL28650412 0.82 GLS (0.38) ALDH1A1CNR1
SCHEMBL28670315 0.82 MAPT (0.47) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL28929387 0.82 TAS2R8 (0.38) MAPTKMT2AALDH1A1MEN1PTGS2
SCHEMBL30271525 0.80 MAPT (0.39) HPGDMAPTKMT2AALDH1A1MEN1
SCHEMBL28654148 0.79 BCAT1 (0.42) —

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
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