SCHEMBL6639124

SCHEMBL6639124

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C(=O)N(C)Cc3ccccn3)c3ccccc3)oc(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.57
CTRB1 P17538 6/20 0.57
TDP2 O95551 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL6634622 0.93 CTRB1 (0.56) ELANECTRB1
SCHEMBL6722619 0.93 ELANE (0.59) ELANECTRB1TDP2EGFRERBB2
SCHEMBL6636032 0.88 CTRB1 (0.59) ELANECTRB1
SCHEMBL6636501 0.87 CTRB1 (0.58) ELANECTRB1
SCHEMBL6638458 0.87 ELANE (0.54) ELANECTRB1TDP2
SCHEMBL6639608 0.86 CTRB1 (0.53) ELANECTRB1TDP2EGFRERBB2
SCHEMBL6639306 0.86 ELANE (0.60) ELANECTRB1TDP2
SCHEMBL6637600 0.86 ELANE (0.57) ELANECTRB1
SCHEMBL6638450 0.84 CTRB1 (0.55) ELANECTRB1
SCHEMBL6641652 0.83 CTRB1 (0.57) ELANECTRB1TDP2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US claimed
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed