SCHEMBL6635359

SCHEMBL6635359

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.55
CTRB1 P17538 2/20 0.55
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP2 O95551 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
SCHEMBL6713458 0.93 ELANE (0.53) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6636051 0.92 ELANE (0.46) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6638897 0.90 CTRB1 (0.54) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6635695 0.89 ELANE (0.53) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6640343 0.89 CTRB1 (0.55) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6637784 0.87 ELANE (0.61) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6637042 0.86 CTRB1 (0.49) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6634805 0.86 CTRB1 (0.53) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6713490 0.86 CTRB1 (0.58) ELANECTRB1KDM4ETDP1HIF1A
SCHEMBL6641432 0.86 CTRB1 (0.48) ELANECTRB1KDM4ETDP1HIF1A

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