SCHEMBL6637178

SCHEMBL6637178

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC3(C(=O)N(C)CCc4ccncc4)CC3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ELANE P08246 2/20 0.51
CYP17A1 P05093 2/20 0.34
LCK P06239 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
SCHEMBL6637693 0.97 CTRB1 (0.49) CTRB1ELANECYP17A1LCK
SCHEMBL6636735 0.96 CTRB1 (0.49) CTRB1ELANECYP17A1LCK
SCHEMBL6640507 0.91 CTRB1 (0.50) CTRB1ELANE
SCHEMBL6634252 0.89 CTRB1 (0.51) CTRB1ELANECYP17A1LCK
SCHEMBL6637592 0.89 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6634805 0.87 CTRB1 (0.53) CTRB1ELANE
SCHEMBL6636149 0.86 CTRB1 (0.53) CTRB1ELANECYP17A1LCK
SCHEMBL6637147 0.85 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6635312 0.85 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6642417 0.84 CTRB1 (0.51) CTRB1ELANE

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-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