SCHEMBL28587943

SCHEMBL28587943

COC(=O)c1ccccc1NC(=O)c1cn(Cc2ccc(C)cc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ SLC22A12 Q96S37 1/20 0.53
▸ NR4A2 P43354 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SRC P12931 1/20 0.48

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
SCHEMBL28584112 0.92 SLC22A12 (0.58) LMNACNR2SLC22A12NR4A2MAPT
SCHEMBL28595207 0.92 POLB (0.55) CNR2SLC22A12NR4A2MAPTGAA
SCHEMBL28571012 0.91 KDM4E (0.53) LMNACNR2SLC22A12NR4A2MAPT
SCHEMBL28579235 0.91 CHRM1 (0.59) LMNACNR2SLC22A12NR4A2MAPT
SCHEMBL28579240 0.91 POLB (0.61) LMNACNR2SLC22A12NR4A2MAPT
SCHEMBL28589812 0.89 SLC22A12 (0.66) LMNACNR2SLC22A12MAPTGAA
SCHEMBL28571008 0.89 L3MBTL1 (0.52) CNR2SLC22A12NR4A2MAPTGAA
SCHEMBL28584067 0.88 CNR2 (0.59) CNR2SLC22A12NR4A2MAPTGAA
SCHEMBL28584775 0.84 POLB (0.54) LMNACNR2SLC22A12NR4A2MAPT
SCHEMBL28595217 0.83 SLC22A12 (0.63) LMNACNR2SLC22A12NR4A2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004188-B Indole derivative, preparation method and application 沈阳药科大学 2022-09-20 — — CN disclosed
CN-113004188-A Indole derivative, preparation method and application 沈阳药科大学 2021-06-22 — — CN disclosed
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