SCHEMBL6206765

SCHEMBL6206765

Clc1cc(C2OCCO2)cc(-n2cccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KAT7 O95251 2/20 0.36
KAT5 Q92993 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
MAT2A P31153 2/20 0.34
ADAM17 P78536 4/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADAM10 O14672 2/20 0.33
MMP2 P08253 2/20 0.33
MMP7 P09237 2/20 0.33
MMP9 P14780 2/20 0.33
MMP13 P45452 2/20 0.33
MMP14 P50281 2/20 0.33
MMP3 P08254 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
SCHEMBL30872608 0.79 NOTUM (0.53) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL23352227 0.78 KDM4E (0.40) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL6058835 0.72 TSHR (0.40) MAPK1
SCHEMBL29186519 0.70 NOTUM (0.55) NOTUMMEN1KMT2AKAT7KDM4E
SCHEMBL27904198 0.70 NOTUM (0.55) NOTUMMEN1KMT2AKAT7KDM4E
SCHEMBL30050149 0.70 NOTUM (0.55) NOTUMMEN1KMT2AKAT7KDM4E
SCHEMBL20168114 0.70 CHRNA7 (0.52) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL6189574 0.68 KDM4E (0.60) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL18003665 0.68 NOTUM (0.38) NOTUMKDM4EALDH1A1MMP2MMP9
SCHEMBL29889643 0.67 NOTUM (0.54) NOTUMMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041980-B1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-02-23 EP disclosed
EP-1041980-A4 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP disclosed
EP-1041980-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP disclosed
US-6011059-A PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
WO-1999033460-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-08 WO disclosed