SCHEMBL6637522

SCHEMBL6637522

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)CCC(=O)NCc3ccncc3)oc(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.47
ELANE P08246 1/20 0.47
CYP17A1 P05093 2/20 0.35
CYP3A4 P08684 1/20 0.35
RCE1 Q9Y256 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL6638087 0.91 CYP3A4 (0.47) CTRB1ELANECYP3A4GAAKMT2A
SCHEMBL6641385 0.87 CTRB1 (0.49) CTRB1ELANEGAAKMT2APOLB
SCHEMBL6637260 0.87 CTRB1 (0.46) CTRB1ELANECYP17A1
SCHEMBL6637518 0.84 CTRB1 (0.53) CTRB1ELANECYP17A1CYP3A4LMNA
SCHEMBL6635091 0.83 CTRB1 (0.54) CTRB1ELANECYP17A1CYP3A4LMNA
SCHEMBL6637014 0.82 CTRB1 (0.48) CTRB1ELANECYP3A4KMT2APOLB
SCHEMBL6635088 0.81 CTRB1 (0.51) CTRB1ELANECYP3A4ALDH1A1
SCHEMBL6636633 0.80 CTRB1 (0.46) CTRB1ELANECYP17A1
SCHEMBL6640957 0.80 CTRB1 (0.46) CTRB1ELANECYP3A4NAMPT
SCHEMBL6638769 0.80 ELANE (0.55) CTRB1ELANECYP17A1CYP3A4RCE1

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