SCHEMBL17577862

SCHEMBL17577862

CCOc1ccccc1CC(=O)Nc1cccc2c(=O)n(CC3(OI)CCCCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
TP53 P04637 3/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 4/20 0.39
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1591058 0.89 POLB (0.51) POLBTP53THRBTSHRRAB9A
SCHEMBL1591053 0.80 KDM4E (0.51) TSHRRAB9ALMNAALDH1A1KDM4E
SCHEMBL13047128 0.80 POLB (0.56) POLBTP53THRBTSHRRAB9A
SCHEMBL13047256 0.79 TP53 (0.62) POLBTP53THRBTSHRRAB9A
SCHEMBL1590410 0.79 TP53 (0.56) POLBTP53THRBTSHRRAB9A
SCHEMBL13047191 0.78 TSHR (0.58) POLBTP53THRBTSHRRAB9A
SCHEMBL13046896 0.78 POLB (0.59) POLBTP53THRBTSHRRAB9A
SCHEMBL13047022 0.77 POLB (0.56) POLBTP53THRBTSHRRAB9A
SCHEMBL17577791 0.77 KMT2A (0.44) POLBTP53TSHRRAB9AKMT2A
SCHEMBL13046820 0.76 POLB (0.51) POLBTP53THRBTSHRRAB9A

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
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed