SCHEMBL8209254

SCHEMBL8209254

O=C1NC(=O)/C(=C\c2ccc(-c3cccs3)cc2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 1.00
▸ CGAS Q8N884 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CLK1 P49759 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HDAC2 Q92769 1/20 0.43
▸ SLC6A11 P48066 1/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ GLS O94925 1/20 0.41
▸ GLS2 Q9UI32 1/20 0.41

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
SCHEMBL8209251 1.00 GSK3B (1.00) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL8209256 1.00 GSK3B (1.00) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL12821680 0.79 GSK3B (0.81) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL12821679 0.79 GSK3B (0.81) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL12258530 0.78 GSK3B (0.65) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL10596632 0.78 GSK3B (0.65) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL10596629 0.78 GSK3B (0.65) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL8956489 0.77 GSK3B (0.63) GSK3BDYRK1AMEN1KMT2AHDAC2
SCHEMBL8544793 0.74 GSK3B (0.59) GSK3BCGASSMN1; SMN2MAPTLMNA
SCHEMBL8544791 0.74 GSK3B (0.59) GSK3BCGASSMN1; SMN2MAPTLMNA

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
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 — — US claimed
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 — — US disclosed
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