SCHEMBL28065707

SCHEMBL28065707

CCCCCCc1ccc2nc(C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.53
PDE10A Q9Y233 2/20 0.52
PSMB5 P28074 2/20 0.49
CYP1A2 P05177 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL11455070 0.93 PDE10A (0.57) TLR8PDE10APSMB5CYP1A2KCNH2
SCHEMBL11453512 0.86 CYP1A2 (0.55) PDE10APSMB5CYP1A2KCNH2HRH3
SCHEMBL6289604 0.85 TLR8 (0.55) TLR8PSMB5KDM4ELMNAS1PR4
SCHEMBL6290855 0.83 TLR8 (0.54) TLR8PSMB5KDM4ELMNAS1PR4
SCHEMBL27995689 0.80 PTGS2 (0.57) KDM4ELMNAESR1ADRA2AADORA3
SCHEMBL11690859 0.80 PTGS2 (0.57) KDM4ELMNAESR1ADRA2AADORA3
SCHEMBL11222681 0.80 PTGS2 (0.57) KDM4ELMNAESR1ADRA2AADORA3
SCHEMBL27844768 0.80 PTGS2 (0.57) KDM4ELMNAESR1ADRA2AADORA3
SCHEMBL8911558 0.80 TLR8 (0.50) TLR8PSMB5KDM4EALDH1A1HSD17B10
SCHEMBL10234988 0.79 CYP1A2 (0.59) PDE10ACYP1A2KCNH2HRH3KDM4E

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
CN-103460086-B Color composition for color filter and colour filter TOYO INK SC HOLDINGS CO.,LTD. (JP) 2016-05-18 CN disclosed