SCHEMBL6640343

SCHEMBL6640343

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.55
HIF1A Q16665 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGFR P43088 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TDP2 O95551 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
SCHEMBL6641652 0.92 CTRB1 (0.57) CTRB1ELANERAB9ANPC1TDP2
SCHEMBL6638837 0.92 CTRB1 (0.47) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6641834 0.91 CTRB1 (0.45) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6636215 0.90 CTRB1 (0.46) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6638795 0.89 ELANE (0.61) CTRB1ELANERAB9ANPC1
SCHEMBL6635359 0.89 ELANE (0.55) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6636476 0.89 CTRB1 (0.45) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6636636 0.88 CTRB1 (0.46) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6637692 0.88 CTRB1 (0.46) CTRB1ELANEHIF1AMEN1KMT2A
SCHEMBL6635385 0.88 CTRB1 (0.44) CTRB1ELANEHIF1AMEN1KMT2A

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 4 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
EP-1403269-A1 REMEDIAL AGENT FOR VIRAL INFECTIOUS DISEASE Asahi Kasei Pharma Corporation (JP) 2004-03-31 EP disclosed