SCHEMBL6636766

SCHEMBL6636766

CCC(CC)C(=O)Nc1ccc2nc(NC(C)(C)C(=O)N(C)CCc3ccccn3)oc(=O)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.44
ELANE P08246 2/20 0.42
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
PTGFR P43088 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTK2B Q14289 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6636636 0.93 CTRB1 (0.46) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6641834 0.91 CTRB1 (0.45) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6636775 0.89 CTRB1 (0.40) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6635385 0.88 CTRB1 (0.44) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6637692 0.88 CTRB1 (0.46) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6640791 0.88 CTRB1 (0.46) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6640799 0.88 CTRB1 (0.46) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6640343 0.88 CTRB1 (0.55) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6634627 0.87 CTRB1 (0.42) CTRB1ELANEMEN1KMT2AHIF1A
SCHEMBL6638441 0.87 CTRB1 (0.42) CTRB1ELANEMEN1KMT2AHIF1A

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