SCHEMBL6638457

SCHEMBL6638457

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)NCc3ccncc3)C3CCCCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.49
CTRB1 P17538 2/20 0.49
BACE1 P56817 3/20 0.36
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.33
MAPT P10636 1/20 0.33
NAMPT P43490 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP17A1 P05093 1/20 0.32
PTGES O14684 1/20 0.32
AAK1 Q2M2I8 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
SCHEMBL6635970 0.92 CTRB1 (0.49) ELANECTRB1NAMPTCYP3A4
SCHEMBL6637280 0.87 ELANE (0.48) ELANECTRB1CYP17A1PTGESAAK1
SCHEMBL6637536 0.84 CTRB1 (0.50) ELANECTRB1KMT2ACYP3A4
SCHEMBL6638871 0.83 ELANE (0.61) ELANECTRB1BACE1KMT2ACYP3A4
SCHEMBL6638769 0.82 ELANE (0.55) ELANECTRB1KMT2ACYP3A4CYP17A1
SCHEMBL6638226 0.81 CTRB1 (0.48) ELANECTRB1NAMPTCYP3A4PTGES
SCHEMBL6637057 0.80 ELANE (0.51) ELANECTRB1
SCHEMBL6635647 0.79 ELANE (0.60) ELANECTRB1BACE1
SCHEMBL6638394 0.79 CTRB1 (0.56) ELANECTRB1NAMPTCYP17A1
SCHEMBL6636873 0.78 CTRB1 (0.49) ELANECTRB1KMT2A

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