SCHEMBL6635623

SCHEMBL6635623

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(NCC(C(=O)NCc3ccccn3)c3ccccc3)oc(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.60
ELANE P08246 3/20 0.60
KMT2A Q03164 6/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 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
SCHEMBL6636032 0.93 CTRB1 (0.59) CTRB1ELANEKMT2APKMSMN1; SMN2
SCHEMBL6638871 0.89 ELANE (0.61) CTRB1ELANEKMT2AMEN1ALDH1A1
SCHEMBL6722619 0.87 ELANE (0.59) CTRB1ELANE
SCHEMBL6639790 0.87 CTRB1 (0.59) CTRB1ELANESMN1; SMN2ALDH1A1HTT
SCHEMBL6636501 0.86 CTRB1 (0.58) CTRB1ELANEKMT2ASMN1; SMN2MEN1
SCHEMBL6633866 0.86 CTRB1 (0.53) CTRB1ELANEKMT2APKMSMN1; SMN2
SCHEMBL6638186 0.85 CTRB1 (0.62) CTRB1ELANEKMT2APKMMEN1
SCHEMBL6635647 0.82 ELANE (0.60) CTRB1ELANE
SCHEMBL6635955 0.82 ELANE (0.56) CTRB1ELANEKMT2AMAPTMEN1
SCHEMBL6639124 0.82 ELANE (0.57) CTRB1ELANE

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