SCHEMBL6637568

SCHEMBL6637568

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NC3(C(=O)N(C)Cc4cccnc4)CCCCC3)oc(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.49
ELANE P08246 2/20 0.49
PDE7B Q9NP56 1/20 0.37
RIPK1 Q13546 1/20 0.34
NAMPT P43490 4/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TNF P01375 1/20 0.31
MAPK1 P28482 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6712777 0.99 CTRB1 (0.50) CTRB1ELANEPDE7BRIPK1NAMPT
SCHEMBL6637147 0.96 CTRB1 (0.51) CTRB1ELANEPDE7BRIPK1NAMPT
SCHEMBL6637592 0.92 CTRB1 (0.49) CTRB1ELANEPDE7BNAMPTCYP3A4
SCHEMBL6634252 0.91 CTRB1 (0.51) CTRB1ELANE
SCHEMBL6640507 0.89 CTRB1 (0.50) CTRB1ELANENAMPTCYP3A4
SCHEMBL6636735 0.86 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6637693 0.85 CTRB1 (0.49) CTRB1ELANE
SCHEMBL6638831 0.85 CTRB1 (0.54) CTRB1ELANERIPK1NAMPTRAB9A
SCHEMBL6642417 0.82 CTRB1 (0.51) CTRB1ELANEPDE7BRAB9AMEN1
SCHEMBL6637178 0.82 CTRB1 (0.51) CTRB1ELANE

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 3 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 claimed
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP claimed
US-20040116420-A1 Remedial agent for viral infectious disease ASAHI KASEI PHARMA CORPORATION (JP) 2004-06-17 US disclosed