SCHEMBL7568434

SCHEMBL7568434

CCCCCCc1c(C)nc2ccccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.53
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.45

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
SCHEMBL32659735 0.89 ALDH1A1 (0.61) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10647975 0.86 TLR8 (0.52) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15488362 0.86 TLR8 (0.56) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6818967 0.82 GPR3 (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL28223101 0.82 TLR8 (0.60) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27941270 0.81 TLR8 (0.49) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5318249 0.80 KDM4E (0.72) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2537670 0.80 KDM4E (0.72) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21633651 0.80 KDM4E (0.72) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5319761 0.80 KDM4E (0.72) TLR8ALDH1A1KDM4EHPGDHSD17B10

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
WO-2002046163-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTI-EPILEPTICS WACKERNAGEL MICHAEL (DE) 2002-06-13 WO claimed