SCHEMBL6635374

SCHEMBL6635374

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C)CC(=O)NCc3ccncc3)oc(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.54
CTRB1 P17538 2/20 0.54
KMT2A Q03164 2/20 0.33
CYP17A1 P05093 2/20 0.33
POLB P06746 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CYP3A4 P08684 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL6638769 0.92 ELANE (0.55) ELANECTRB1KMT2ACYP17A1POLB
SCHEMBL6637543 0.91 CTRB1 (0.53) ELANECTRB1KMT2APOLBCYP3A4
SCHEMBL6635955 0.88 ELANE (0.56) ELANECTRB1KMT2A
SCHEMBL6637344 0.85 ELANE (0.51) ELANECTRB1CYP17A1
SCHEMBL6635647 0.85 ELANE (0.60) ELANECTRB1
SCHEMBL6717299 0.84 CTRB1 (0.54) ELANECTRB1KMT2APOLBCYP3A4
SCHEMBL6638394 0.81 CTRB1 (0.56) ELANECTRB1CYP17A1RCE1NR1H4
SCHEMBL6638871 0.80 ELANE (0.61) ELANECTRB1KMT2ACYP17A1CYP3A4
SCHEMBL6636762 0.79 ELANE (0.51) ELANECTRB1CYP3A4
SCHEMBL6638457 0.78 ELANE (0.49) ELANECTRB1KMT2ACYP17A1CYP3A4

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