SCHEMBL6637543

SCHEMBL6637543

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(C)CC(=O)NCc3cccnc3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.53
ELANE P08246 2/20 0.53
CYP3A4 P08684 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL6717299 0.93 CTRB1 (0.54) CTRB1ELANECYP3A4L3MBTL1KMT2A
SCHEMBL6635374 0.91 ELANE (0.54) CTRB1ELANECYP3A4KMT2APOLB
SCHEMBL6635955 0.86 ELANE (0.56) CTRB1ELANEKMT2AHPGDALDH1A1
SCHEMBL6636762 0.86 ELANE (0.51) CTRB1ELANECYP3A4NAMPT
SCHEMBL6636103 0.86 CTRB1 (0.57) CTRB1ELANECYP3A4L3MBTL1LMNA
SCHEMBL6638769 0.84 ELANE (0.55) CTRB1ELANECYP3A4KMT2APOLB
SCHEMBL6635224 0.82 CTRB1 (0.59) CTRB1ELANECYP3A4KMT2ALMNA
SCHEMBL6639790 0.82 CTRB1 (0.59) CTRB1ELANECYP3A4L3MBTL1LMNA
SCHEMBL6635970 0.80 CTRB1 (0.49) CTRB1ELANECYP3A4LMNANAMPT
SCHEMBL6641671 0.79 ELANE (0.52) CTRB1ELANECYP3A4NAMPT

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