SCHEMBL5166843

SCHEMBL5166843

NC(=O)OC1=Cc2ccccc2NC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B3 P37058 1/20 0.31
HTT P42858 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4620052 0.85 HTT (0.34) HSD17B3HTTALOX15HSD17B10
SCHEMBL18306076 0.77 PARP1 (0.32) MEN1KMT2A
SCHEMBL715561 0.75 HSD17B10 (0.33) HSD17B3ALOX15HSD17B10
Hydrochloric Acid SCHEMBL6204990 0.73 HSD17B3 (0.33) HSD17B3ALOX15HSD17B10
SCHEMBL5695892 0.71 P2RX7 (0.34) MEN1KMT2A
SCHEMBL20916945 0.70 DAO (0.47) MEN1KMT2AHTT
SCHEMBL980578 0.69 MAOA (0.35) HSD17B3ALOX15HSD17B10
SCHEMBL29816130 0.69 MAOA (0.35) HSD17B3ALOX15HSD17B10
SCHEMBL5473144 0.69 MAPT (0.42) KMT2AHSD17B3
SCHEMBL5483296 0.69 HSD17B3 (0.33) HSD17B3

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
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO disclosed