SCHEMBL9714713

SCHEMBL9714713

CCCCCc1nc2ccccc2cc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.55
MBNL1 Q9NR56 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 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
SCHEMBL168398 0.82 TLR8 (0.69) TLR8ALDH1A1GLAMAPTHPGD
SCHEMBL2514453 0.82 TLR8 (0.56) TLR8MBNL1KCNH2ALDH1A1GLA
SCHEMBL17713567 0.81 TLR8 (0.63) TLR8
SCHEMBL28278237 0.81 TLR8 (0.55) TLR8KCNH2ALDH1A1GLAMAPT
SCHEMBL27870558 0.81 TLR8 (0.68) TLR8KCNH2ALDH1A1GLAMAPT
SCHEMBL2054396 0.81 TLR8 (0.55) TLR8ALDH1A1GLAMAPTHPGD
SCHEMBL28793625 0.81 TLR8 (0.68) TLR8KCNH2ALDH1A1GLAMAPT
SCHEMBL14360658 0.80 ALDH1A1 (0.45) TLR8MBNL1ALDH1A1GLAMAPT
SCHEMBL28743898 0.79 TLR8 (0.61) TLR8ALDH1A1GLAMAPTHPGD
SCHEMBL287399 0.79 TLR8 (0.61) TLR8ALDH1A1GLAMAPTHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334087-B1 ANTIMICROBIAL FOR IN-VITRO DIAGNOSTIC KITS ABBOTT LABORATORIES (US) 1992-09-23 EP claimed
US-4931446-A Antimicrobial for in-vitro diagnostic kits ABBOTT LABORATORIES (US) 1990-06-05 US claimed
EP-0334087-A1 Antimicrobial for in-vitro diagnostic kits ABBOTT LABORATORIES (US) 1989-09-27 EP claimed
EP-0334087-B1 ANTIMICROBIAL FOR IN-VITRO DIAGNOSTIC KITS ABBOTT LABORATORIES (US) 1992-09-23 EP disclosed
US-4931446-A Antimicrobial for in-vitro diagnostic kits ABBOTT LABORATORIES (US) 1990-06-05 US disclosed
EP-0334087-A1 Antimicrobial for in-vitro diagnostic kits ABBOTT LABORATORIES (US) 1989-09-27 EP disclosed