SCHEMBL6633862

SCHEMBL6633862

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N(C)[C@@H](Cc3ccccc3)C(=O)NCc3ccccn3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.37
REN P00797 8/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.36
SCN9A Q15858 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6639323 0.94 CTRB1 (0.49) CTRB1ELANETSHRSMN1; SMN2CYP1A2
SCHEMBL6635088 0.91 CTRB1 (0.51) CTRB1ELANEALDH1A1CYP3A4
SCHEMBL6641379 0.90 CTRB1 (0.53) CTRB1ELANETSHRSMN1; SMN2CYP1A2
SCHEMBL6639603 0.89 CTRB1 (0.50) CTRB1ELANETSHRSMN1; SMN2CYP1A2
SCHEMBL6634775 0.89 CTRB1 (0.50) CTRB1ELANEKMT2ACYP3A4
SCHEMBL6637970 0.88 CTRB1 (0.49) CTRB1ELANETSHRSMN1; SMN2CYP1A2
SCHEMBL6633866 0.86 CTRB1 (0.53) CTRB1ELANETSHRSMN1; SMN2CYP1A2
SCHEMBL6641385 0.83 CTRB1 (0.49) CTRB1ELANESMN1; SMN2MAPTALDH1A1
SCHEMBL6637009 0.82 CTRB1 (0.52) CTRB1ELANESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6401408 0.82 CTRB1 (0.54) CTRB1ELANETSHRKMT2AMEN1

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