SCHEMBL7658352

SCHEMBL7658352

CCN(CC)C(=O)n1cnc(SC(F)(F)Br)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.33
MLYCD O95822 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MGLL Q99685 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P2RX4 Q99571 3/20 0.31
PTBP1 P26599 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7667054 0.89 LMNA (0.32) POLBLMNAMLYCDAPOBEC3AAPOBEC3G
SCHEMBL7660067 0.82 LMNA (0.37) POLBLMNAAPOBEC3AAPOBEC3GMGLL
SCHEMBL7661186 0.78 POLB (0.35) POLBLMNAAPOBEC3AAPOBEC3GMGLL
SCHEMBL9491268 0.78 ALDH1A1 (0.40) POLBLMNAAPOBEC3AAPOBEC3GMGLL
SCHEMBL10509749 0.77 NPC1 (0.35) POLBLMNAAPOBEC3AAPOBEC3GMGLL
SCHEMBL7657807 0.73 DPP4 (0.38) POLBLMNAMLYCDAPOBEC3AAPOBEC3G
SCHEMBL9015526 0.73 MAPT (0.33) POLBLMNAAPOBEC3AAPOBEC3GMGLL
SCHEMBL9368251 0.72 P2RX7 (0.32) NPSR1P2RX7
SCHEMBL9383789 0.72 MRGPRX4 (0.38) NPSR1
SCHEMBL9378936 0.72 LMNA (0.36) POLBLMNAMGLLTDP1P2RX4

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
US-6461997-B1 SUCH AS 3-(BROMODIFLUOROMETHYLSULFONYL)-1-(N,N-DIETHYL-CARBAMOYL)-1,2,4-TRIAZOLE; SELECTIVITY FOR WEEDS OVER CROPS; APPLY TO PLANTS OR SOIL MONSANTO TECHNOLOGY LLC 2002-10-08 US disclosed