SCHEMBL7679455

SCHEMBL7679455

Cc1c(SCCCl)ccnc1Cc1nc2ccccc2cc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.39
KMT2A Q03164 2/20 0.32
CASP6 P55212 1/20 0.32
PIK3CD O00329 3/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
PTBP1 P26599 1/20 0.30
RAB9A P51151 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL7670968 0.94 TLR8 (0.44) TLR8KMT2ACASP6PIK3CD
SCHEMBL7676543 0.94 TLR8 (0.43) TLR8KMT2ACASP6PIK3CD
Hydrochloric Acid SCHEMBL7675349 0.94 TLR8 (0.43) TLR8KMT2ACASP6
SCHEMBL7675367 0.86 TLR8 (0.42) TLR8PIK3CD
SCHEMBL7669705 0.83 CYP1A2 (0.36) TLR8ALDH1A1LMNAHPGD
SCHEMBL7675578 0.81 TLR8 (0.38) TLR8ALDH1A1LMNAHPGD
SCHEMBL7889170 0.81 TLR8 (0.38) TLR8ALDH1A1LMNAHPGD
SCHEMBL7672108 0.80 DRD3 (0.41) TLR8KDM4ENPC1ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7672218 0.77 TLR8 (0.44) TLR8KMT2ANPC1ALDH1A1LMNA
SCHEMBL7678498 0.75 TYMS (0.45) KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed