SCHEMBL28707246

SCHEMBL28707246

CC(=O)c1cc(-c2nc3cc(-c4cnsc4)ccc3o2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 1/20 0.41
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ POLB P06746 4/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ HPGD P15428 5/20 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
SCHEMBL23034210 0.90 KMO (0.41) RAB9ANPC1HDAC6LMNAALDH1A1
SCHEMBL28713808 0.86 MAPT (0.41) UTRNRAB9ANPC1POLBCASP3
SCHEMBL29479706 0.86 MAPT (0.41) UTRNRAB9ANPC1POLBCASP3
SCHEMBL31165958 0.81 ESR1 (0.37) UTRNRAB9ANPC1HDAC6CASP3
SCHEMBL23033561 0.74 PIM1 (0.55) —
SCHEMBL28714669 0.72 PIM1 (0.40) UTRNRAB9ANPC1POLBHDAC6
SCHEMBL23034204 0.72 S1PR1 (0.45) UTRNRAB9ANPC1POLBHDAC6
SCHEMBL23034225 0.72 KMO (0.41) RAB9ANPC1HDAC6LMNAALDH1A1
SCHEMBL29479701 0.72 KDM4E (0.44) RAB9ANPC1POLBCASP3SENP7
SCHEMBL28714630 0.72 KDM4E (0.44) RAB9ANPC1POLBCASP3SENP7

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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