SCHEMBL6637014

SCHEMBL6637014

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)CCC(=O)NCCc3ccccn3)oc(=O)c12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.48
ELANE P08246 1/20 0.48
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
PTGFR P43088 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 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
SCHEMBL6641385 0.93 CTRB1 (0.49) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6641432 0.89 CTRB1 (0.48) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6637376 0.87 CTRB1 (0.49) CTRB1ELANEPOLBRAB9ANPC1
SCHEMBL6401408 0.86 CTRB1 (0.54) CTRB1ELANEKMT2AMEN1POLB
SCHEMBL6637009 0.86 CTRB1 (0.52) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6639326 0.85 CTRB1 (0.52) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6637042 0.85 CTRB1 (0.49) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6633883 0.83 CTRB1 (0.41) CTRB1ELANEKMT2AMEN1POLB
SCHEMBL6637788 0.83 CTRB1 (0.48) CTRB1ELANEALDH1A1KMT2AMEN1
SCHEMBL6639323 0.83 CTRB1 (0.49) CTRB1ELANEALDH1A1KMT2AMEN1

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