SCHEMBL28946878

SCHEMBL28946878

COCCn1nc(OC(N)=O)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ MPO P05164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL30949211 0.79 KMT2A (0.41) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL24076322 0.75 MPO (0.40) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL3650533 0.75 HCAR3 (0.44) KDM4EKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL30168555 0.74 MPO (0.39) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL25746400 0.73 MPO (0.41) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL31366245 0.72 MPO (0.40) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL24076248 0.72 KDM4E (0.44) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL24246975 0.71 MPO (0.39) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL24077090 0.70 MPO (0.38) KDM4EKMT2AMEN1PTGS2ALDH1A1
SCHEMBL24077086 0.67 KDM4E (0.39) KDM4EKMT2AMEN1ALDH1A1POLB

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-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 — — CN disclosed
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