SCHEMBL6713490

SCHEMBL6713490

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N[C@H](C(=O)N(C)CCc3ccccn3)C(C)(C)C)oc(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.58
ELANE P08246 5/20 0.58
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGFR P43088 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HIF1A Q16665 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PTK2B Q14289 1/20 0.33
POLB P06746 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
SCHEMBL6639306 0.93 ELANE (0.60) CTRB1ELANE
SCHEMBL6637784 0.92 ELANE (0.61) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6637727 0.89 ELANE (0.57) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6637731 0.89 ELANE (0.57) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6636428 0.87 ELANE (0.57) CTRB1ELANE
SCHEMBL6640343 0.87 CTRB1 (0.55) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6635434 0.86 ELANE (0.56) CTRB1ELANE
SCHEMBL6634622 0.86 CTRB1 (0.56) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6635359 0.86 ELANE (0.55) CTRB1ELANEKDM4ETDP1PTGFR
SCHEMBL6641428 0.85 CTRB1 (0.52) CTRB1ELANEKDM4ETDP1PTGFR

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