SCHEMBL28820365

SCHEMBL28820365

NC(=O)c1cnc(Cc2cccs2)c(C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ PSMD14 O00487 2/20 0.37
▸ STAMBP O95630 2/20 0.37
▸ COPS5 Q92905 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL4173670 0.79 KDM4E (0.47) MAPK8ALDH1A1AURKARPS6KB1POLB
SCHEMBL28168958 0.72 MBOAT4 (0.45) MAPK8HDAC3HDAC1HDAC2HDAC6
SCHEMBL17727697 0.70 VNN1 (0.48) MAPK8AURKARPS6KB1HTTSIRT2
SCHEMBL28751276 0.70 MEP1B (0.47) ALDH1A1POLBHTTRAB9AMEN1
SCHEMBL28168957 0.69 KDM4C (0.53) MAPK8ALDH1A1AURKARPS6KB1POLB
SCHEMBL2308742 0.69 CYP2C9 (0.53) MAPK8ALDH1A1AURKARPS6KB1POLB
SCHEMBL3105718 0.69 RAB9A (0.39) MAPK8HTTRAB9ANPC1
SCHEMBL17397529 0.69 MAPK8 (0.43) MAPK8HDAC3HDAC1HDAC6AURKA
SCHEMBL28049502 0.69 CYP2C9 (0.43) MAPK8ALDH1A1AURKARPS6KB1POLB
Hydrochloric Acid SCHEMBL28152222 0.68 CYP2C9 (0.51) MAPK8ALDH1A1AURKARPS6KB1POLB

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-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 — — CN disclosed
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