SCHEMBL6638871

SCHEMBL6638871

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)NCc3ccncc3)c3ccccc3)oc(=O)c12

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.61
CTRB1 P17538 4/20 0.61
GAA P10253 1/20 0.43
BACE1 P56817 5/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP17A1 P05093 1/20 0.33

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
SCHEMBL6635647 0.93 ELANE (0.60) ELANECTRB1GAABACE1
SCHEMBL6639790 0.92 CTRB1 (0.59) ELANECTRB1LMNAALDH1A1CYP3A4
SCHEMBL6635623 0.89 CTRB1 (0.60) ELANECTRB1ALDH1A1MEN1KMT2A
SCHEMBL6637660 0.86 ELANE (0.58) ELANECTRB1MEN1KMT2ACYP17A1
SCHEMBL6635091 0.85 CTRB1 (0.54) ELANECTRB1GAABACE1LMNA
SCHEMBL6636103 0.85 CTRB1 (0.57) ELANECTRB1LMNAALDH1A1CYP3A4
SCHEMBL6638769 0.84 ELANE (0.55) ELANECTRB1CYP3A4KMT2ACYP17A1
SCHEMBL6638457 0.83 ELANE (0.49) ELANECTRB1BACE1CYP3A4KMT2A
SCHEMBL6636032 0.82 CTRB1 (0.59) ELANECTRB1ALDH1A1MEN1KMT2A
SCHEMBL6638394 0.81 CTRB1 (0.56) ELANECTRB1GAALMNAALDH1A1

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