SCHEMBL11114074

SCHEMBL11114074

CCCCCc1cc(N)c(CCCCC)cc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.46
CYP3A4 P08684 2/20 0.44
ALOX5 P09917 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TYR P14679 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 3/20 0.41
LIPG Q9Y5X9 1/20 0.41
SKP2 Q13309 1/20 0.41
HTR2A P28223 2/20 0.41
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL15486053 0.98 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL841582 0.98 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL5379561 0.93 TLR8 (0.42) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL833088 0.92 SKP2 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL5386049 0.91 ALOX5 (0.43) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL14681822 0.88 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL18428550 0.88 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL840888 0.88 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL29739851 0.88 ALOX5 (0.47) TLR8CYP3A4ALOX5MEN1TP53
SCHEMBL5379612 0.86 SKP2 (0.42) TLR8CYP3A4ALOX5MEN1TP53

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
US-4482657-A Silica-polymer mixtures POLYSAR LIMITED (CA) 1984-11-13 US disclosed