SCHEMBL7865731

SCHEMBL7865731

CON=CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CON=CCc1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.57
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX1 P51575 4/20 0.48
P2RX7 Q99572 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
P2RX4 Q99571 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL7866260 0.90 TLR8 (0.51) TLR8KDM4ETDP1POLBNPSR1
SCHEMBL7777742 0.90 TDP1 (0.58) KDM4ETDP1POLBNPSR1MEN1
SCHEMBL134353 0.78 P2RX1 (0.60) P2RX1P2RX7MEN1KMT2AP2RX4
SCHEMBL6815985 0.74 TLR8 (0.61) TLR8TDP1NPSR1P2RX1P2RX7
SCHEMBL6819187 0.74 TLR8 (0.71) TLR8TDP1P2RX1P2RX7MEN1
SCHEMBL6816653 0.72 MYC (0.67) TLR8TDP1NPSR1P2RX1P2RX7
SCHEMBL6811322 0.72 TLR8 (0.68) TLR8KDM4ETDP1P2RX1P2RX7
SCHEMBL6816655 0.71 TLR8 (0.60) TLR8TDP1P2RX1P2RX7MEN1
SCHEMBL6819257 0.69 TLR8 (0.55) TLR8TDP1NPSR1P2RX1P2RX7
SCHEMBL6819505 0.69 TLR8 (0.53) TLR8KDM4ETDP1P2RX1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed