SCHEMBL6981801

SCHEMBL6981801

CCCN(CSCc1ccccc1)c1nc(Cl)nc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CRHR1 P34998 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8084532 0.77 ALDH1A1 (0.39) LMNAMAPTCRHR1TLR7ALDH1A1
SCHEMBL6981805 0.67 ALDH1A1 (0.36) TLR7ALDH1A1
SCHEMBL6982621 0.66 MAPT (0.38) LMNAMAPTPDE4APDE4BPDE4C
SCHEMBL8506338 0.65 NR1H2 (0.37) MAPTCRHR1ALDH1A1
SCHEMBL8070475 0.63 MAPT (0.39) LMNAMAPTPDE4APDE4BPDE4C
SCHEMBL31530718 0.62 MAPT (0.55) LMNAMAPTCRHR1ALDH1A1TDP1
SCHEMBL11735724 0.62 MAPT (0.50) LMNAMAPTCRHR1ALDH1A1TDP1
SCHEMBL26819191 0.61 TDP1 (0.44) CRHR1ALDH1A1TDP1
SCHEMBL11029993 0.60 ALDH1A1 (0.43) MAPTALDH1A1TDP1
SCHEMBL27346803 0.60 PKM (0.44) LMNAMAPTALDH1A1

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
EP-1037882-B1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER CROPSCIENCE AG (DE) 2003-11-05 EP disclosed
EP-1037882-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER AG (DE) 2000-09-27 EP disclosed
WO-1999029677-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 1999-06-17 WO disclosed