SCHEMBL1505533

SCHEMBL1505533

CN1CCC(Oc2ncc(C(=O)O)cc2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
SCD O00767 8/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KDM2B Q8NHM5 1/20 0.39
IKBKB O14920 1/20 0.38
SCD5 Q86SK9 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37

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
SCHEMBL412178 0.85 KMT2A (0.50) KMT2ASCD
SCHEMBL12832664 0.82 OPRK1 (0.44) KMT2AMEN1
SCHEMBL23456201 0.81 PIK3CD (0.52)
SCHEMBL23456200 0.81 PIK3CD (0.52)
SCHEMBL1505683 0.79 SSTR4 (0.36) KMT2AATM
SCHEMBL17112460 0.77 ATXN2 (0.43) KMT2A
SCHEMBL29663877 0.77 ATXN2 (0.43) KMT2A
SCHEMBL924247 0.74 KMT2A (0.47) KMT2AATMALDH1A1
SCHEMBL3350976 0.73 OPRK1 (0.42) ATM
SCHEMBL2997545 0.73 LRRK2 (0.40) KMT2AMEN1SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed