SCHEMBL6640943

SCHEMBL6640943

O=C(O)[B]C1=Cc2ccccc2NC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRPF1 P55201 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29816130 0.74 MAOA (0.35) HSD17B3ALOX15HSD17B10BRPF1GAA
SCHEMBL980578 0.74 MAOA (0.35) HSD17B3ALOX15HSD17B10BRPF1GAA
Hydrochloric Acid SCHEMBL3719374 0.72 BLM (0.34) HSD17B3ALOX15HSD17B10BRPF1GAA
Hydrochloric Acid SCHEMBL27489771 0.72 BLM (0.34) HSD17B3ALOX15HSD17B10BRPF1GAA
SCHEMBL6510596 0.72 MAOA (0.32) HSD17B3ALOX15HSD17B10
SCHEMBL27471691 0.70 MAPT (0.33) HSD17B3ALOX15HSD17B10BRPF1GAA
SCHEMBL32670831 0.70 ALDH1A1 (0.42) ALOX15HSD17B10GAAMAPT
SCHEMBL4620052 0.70 HTT (0.34) HSD17B3ALOX15HSD17B10BRPF1GAA
SCHEMBL28390255 0.69 HSD17B3 (0.40) HSD17B3ALOX15HSD17B10BRPF1GAA
SCHEMBL715561 0.69 HSD17B10 (0.33) HSD17B3ALOX15HSD17B10BRPF1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432705-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-06-30 EP disclosed
WO-2003032962-A2 DUAL ACTION ANTIBIOTICS Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-24 WO disclosed
WO-2003031443-A1 DUAL ACTIONS ANTIBIOTICS COMPRISING A OXAZOLDINONE AND A QUINOLONE OR NAPHTHYRIDINONE MOIETY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-04-17 WO disclosed
WO-2003031441-A1 MULTIPLE ACTION COMPOUNDS MORPHOCHEN AKTIENGESELLSCHAFT FÜR KOMBINATORISCHE CHEMIE (DE) 2003-04-17 WO disclosed