SCHEMBL28710822

SCHEMBL28710822

CCOC(=O)c1cc(-c2nc3cc(-c4cnoc4)ccc3o2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ TP53 P04637 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CASP3 P42574 3/20 0.41
▸ SENP8 Q96LD8 3/20 0.41
▸ SENP7 Q9BQF6 3/20 0.41
▸ SENP6 Q9GZR1 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ CETP P11597 1/20 0.39

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
SCHEMBL29479727 1.00 MAPT (0.41) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL23034225 0.84 KMO (0.41) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28713808 0.84 MAPT (0.41) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29479706 0.84 MAPT (0.41) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL28714674 0.83 PIM1 (0.44) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29479641 0.83 PIM1 (0.44) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29479692 0.82 PIM1 (0.44) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL23033310 0.82 PIM1 (0.44) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL28713388 0.82 ABL1 (0.41) MAPTRAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29479608 0.82 ABL1 (0.41) MAPTRAB9ATP53SMN1; SMN2KDM4E

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-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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