SCHEMBL6571553

SCHEMBL6571553

CCCCC(C)CCCn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LMNA P02545 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
FDPS P14324 1/20 0.35
NOS1 P29475 2/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL11959515 0.87 L3MBTL1 (0.41) L3MBTL1TLR8TLR7LMNAPSEN1
SCHEMBL20940122 0.84 TLR8 (0.39) L3MBTL1TLR8TLR7LMNAPSEN1
SCHEMBL439752 0.83 L3MBTL1 (0.49) L3MBTL1TLR8TLR7LMNAPSEN1
SCHEMBL796651 0.82
SCHEMBL45207 0.81 TLR8 (0.44) L3MBTL1TLR8TLR7LMNAFDPS
Bromide SCHEMBL556174 0.81 TLR8 (0.44) L3MBTL1TLR8TLR7FDPSNOS1
Hydrochloric Acid SCHEMBL6736377 0.81 TLR8 (0.44) L3MBTL1TLR8TLR7FDPSNOS1
Hydrochloric Acid SCHEMBL557786 0.81 TLR8 (0.44) L3MBTL1TLR8TLR7FDPSNOS1
SCHEMBL19292061 0.80 L3MBTL1 (0.41) L3MBTL1TLR8TLR7LMNAPSEN1
SCHEMBL11018422 0.80 L3MBTL1 (0.41) L3MBTL1TLR8TLR7LMNAPSEN1

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
EP-0813526-B1 PROCESS FOR PREPARING N-SUBSTITUTED PYRAZOLES BASF AG (DE) 2004-02-04 EP disclosed
US-5840913-A CATALYTIC N-ALKYLATION OF A PYRAZOLE BY REACTING WITH AN ALCOHOL; LIQUID PHASE; NON-HETEROGENOUS ACID CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed