SCHEMBL6717299

SCHEMBL6717299

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
ELANE P08246 2/20 0.54
CYP3A4 P08684 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6637543 0.93 CTRB1 (0.53) CTRB1ELANECYP3A4L3MBTL1KMT2A
SCHEMBL6638769 0.91 ELANE (0.55) CTRB1ELANECYP3A4KMT2APOLB
SCHEMBL6641671 0.86 ELANE (0.52) CTRB1ELANECYP3A4NAMPT
SCHEMBL6639790 0.86 CTRB1 (0.59) CTRB1ELANECYP3A4L3MBTL1LMNA
SCHEMBL6635374 0.84 ELANE (0.54) CTRB1ELANECYP3A4KMT2APOLB
SCHEMBL6635970 0.83 CTRB1 (0.49) CTRB1ELANECYP3A4LMNANAMPT
SCHEMBL6635224 0.83 CTRB1 (0.59) CTRB1ELANECYP3A4KMT2ALMNA
SCHEMBL6715191 0.82 ELANE (0.56) CTRB1ELANECYP3A4KMT2AHTT
SCHEMBL6636103 0.82 CTRB1 (0.57) CTRB1ELANECYP3A4L3MBTL1LMNA
SCHEMBL6638087 0.81 CYP3A4 (0.47) CTRB1ELANECYP3A4KMT2ANAMPT

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 1 patent. 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