SCHEMBL6986951

SCHEMBL6986951

CSc1nccc(C(=O)O)n1.[KH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
KDM5A P29375 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
JMJD1C Q15652 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
MAPT P10636 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TET2 Q6N021 1/20 0.40

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
SCHEMBL1735064 0.98 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKMT2A
SCHEMBL13202841 0.85 ALOX15 (0.42) KDM4EKDM5AKDM3AJMJD1CKMT2A
SCHEMBL750794 0.83 ALDH1A1 (0.42) KDM4EKMT2AMEN1ALOX15ALDH1A1
SCHEMBL2606740 0.82 KDM4E (0.52) KDM4EKDM5AKDM3AJMJD1CKMT2A
SCHEMBL1489345 0.81 KMT2A (0.46) KDM4EKDM5AKDM3AJMJD1CKMT2A
SCHEMBL6204024 0.81 KMT2A (0.41) KDM4EKMT2AMEN1ALOX15ALDH1A1
SCHEMBL29835033 0.81 KMT2A (0.46) KDM4EKDM5AKDM3AJMJD1CKMT2A
Potassium Ion SCHEMBL6986954 0.80 ALOX15 (0.39) KDM4EKMT2AMEN1ALOX15TDP1
SCHEMBL2096921 0.79 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CKMT2A
SCHEMBL13060099 0.79 KMT2A (0.39) KDM4EKMT2AMEN1ALOX15TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1079821-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-08-29 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1079821-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-07 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed