SCHEMBL6713458

SCHEMBL6713458

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCCC(=O)N(C)CCc3ccccn3)oc(=O)c12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.53
CTRB1 P17538 2/20 0.53
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTGFR P43088 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6635359 0.93 ELANE (0.55) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6635695 0.90 ELANE (0.53) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6638897 0.90 CTRB1 (0.54) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6641432 0.87 CTRB1 (0.48) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6636051 0.87 ELANE (0.46) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6640343 0.87 CTRB1 (0.55) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6634622 0.87 CTRB1 (0.56) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6637784 0.85 ELANE (0.61) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6637042 0.85 CTRB1 (0.49) ELANECTRB1PDE3BPDE3APOLB
SCHEMBL6713490 0.85 CTRB1 (0.58) ELANECTRB1PDE3BPDE3APOLB

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