SCHEMBL6535908

SCHEMBL6535908

C=CCc1nc2ccccc2cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.48
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
PTBP1 P26599 1/20 0.43
RAB9A P51151 1/20 0.43
RCE1 Q9Y256 1/20 0.43
MAPT P10636 3/20 0.42
ACHE P22303 1/20 0.42
HTR3A P46098 1/20 0.41
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38

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
SCHEMBL8213737 0.81 TLR8 (0.49) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL27357965 0.80 TLR8 (0.49) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL27812919 0.79 ALDH1A1 (0.42) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL28237515 0.79 KMT2A (0.42) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL1115863 0.79 ALDH1A1 (0.49) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL17942849 0.77 TLR8 (0.49) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL28287106 0.77 MAPT (0.52) TLR8ALDH1A1KMT2AGAAHPGD
SCHEMBL18583409 0.77 ALDH1A1 (0.47) TLR8ALDH1A1KMT2AGAAGLA
SCHEMBL2818584 0.76 TLR8 (0.68) TLR8ALDH1A1KMT2AGAAGLA
Hydrochloric Acid SCHEMBL5480918 0.75 TLR8 (0.66) TLR8ALDH1A1KMT2AGAAGLA

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
US-20040068068-A1 Optically active polymer with epoxide functions, method for preparing same, and use thereof UNIVERSITY CLAUDE BERNARD LYON 1 (FR) 2004-04-08 US disclosed
US-4138292-A ENZYMES OR MICROORGANISMS IN A SULFATED POLYSACCHARIDE GEL TANABE SEIYAKU CO., LTD. (JP) 1979-02-06 US disclosed