SCHEMBL3346064

SCHEMBL3346064

O=C(O)c1cc(Br)cnc1OCCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
PIM2 Q9P1W9 2/20 0.51
KDR P35968 1/20 0.40
CNR2 P34972 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4C Q9H3R0 6/20 0.39
KDM6B O15054 4/20 0.39
GCK P35557 1/20 0.38
SLC2A1 P11166 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SORT1 Q99523 1/20 0.36
SLC16A3 O15427 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL3345812 0.86 PIM1 (0.43) PIM1PIM2KDRCNR2SLC2A1
SCHEMBL3448577 0.84 TSHR (0.44) PIM1PIM2CNR2MEN1KMT2A
SCHEMBL3451828 0.79 CNR2 (0.44) CNR2KMT2A
SCHEMBL31481588 0.77 CNR2 (0.43) CNR2KDM4CKMT2ASORT1
SCHEMBL1505065 0.76 CNR2 (0.48) CNR2KMT2ASORT1
SCHEMBL18584645 0.75 FOLH1 (0.49) MEN1KMT2ASLC16A3
SCHEMBL6362662 0.74 HSD17B10 (0.50) CNR2KMT2A
SCHEMBL3376837 0.73 KDM4E (0.55) MEN1KMT2A
SCHEMBL21512633 0.73 KDM4E (0.46) CNR2MEN1KMT2A
SCHEMBL4014183 0.73 PTGER4 (0.44) KDM4CMEN1KMT2A

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-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed