SCHEMBL2473533

SCHEMBL2473533

CS(=O)(=O)N=C(N)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
SLC6A9 P48067 5/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
LMNA P02545 3/20 0.39
ATR Q13535 1/20 0.38
KCNA3 P22001 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL13594085 1.00 P2RX7 (0.42) P2RX7SLC6A9NPFFR1NPFFR2LMNA
SCHEMBL13594062 0.87 P2RX7 (0.39) P2RX7SLC6A9LMNAATRKCNA3
SCHEMBL13594316 0.84 P2RX7 (0.40) P2RX7NPFFR1NPFFR2LMNAATR
SCHEMBL2470148 0.83 SLC6A9 (0.46) P2RX7SLC6A9LMNAATRALDH1A1
SCHEMBL2468682 0.82 SLC6A9 (0.51) P2RX7SLC6A9LMNAATR
SCHEMBL2469437 0.82 LMNA (0.49) P2RX7LMNAATRALDH1A1POLB
SCHEMBL2491434 0.81 OPRD1 (0.48) P2RX7KCNA3MEN1KMT2A
SCHEMBL2467928 0.80 SLC6A9 (0.51) P2RX7SLC6A9LMNAATRMAPK1
SCHEMBL2495626 0.80 CYP2D6 (0.47) P2RX7LMNAALDH1A1MEN1KMT2A
SCHEMBL2496825 0.80 SLC6A9 (0.43) P2RX7SLC6A9LMNAKCNA3

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
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO disclosed