SCHEMBL6960486

SCHEMBL6960486

CC(=O)OCCc1nc(C(C)C)c(Sc2cccc(Cl)c2)n1Cc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
P2RX3 P56373 1/20 0.34
SLC6A9 P48067 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX12 P18054 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6973001 0.92 P2RX3 (0.33) IDO1P2RX3SLC6A9CSNK2A2CSNK2B
SCHEMBL6961900 0.92 PIM1 (0.35) IDO1P2RX3SLC6A9CSNK2A2CSNK2B
SCHEMBL7082775 0.92 TLR8 (0.33) P2RX3TDP1MAPTKMT2A
SCHEMBL7086211 0.92 ALDH1A1 (0.39) TP53LMNAKMT2A
SCHEMBL7081541 0.91 IDO1 (0.35) IDO1P2RX3SLC6A9CSNK2A2CSNK2B
SCHEMBL6975545 0.90 GRIN1 (0.34) SLC6A9MAPTTP53LMNA
SCHEMBL6969304 0.88 ALOX12 (0.36) SLC6A9ALOX12AKR1B1PTGDR2MAPT
SCHEMBL7086066 0.88 KMT2A (0.36) MAPTRXFP1LMNAKMT2AL3MBTL1
SCHEMBL6965960 0.87 LMNA (0.34) IDO1P2RX3SLC6A9CSNK2A2CSNK2B
SCHEMBL6967782 0.86 LMNA (0.39) IDO1P2RX3CSNK2A2CSNK2BTDP1

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-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed