SCHEMBL7715992

SCHEMBL7715992

CCCCCc1cc2ccc3ncccc3c2nc1CCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.44
TLR8 Q9NR97 5/20 0.40
TLR7 Q9NYK1 3/20 0.39
CYP3A4 P08684 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDPK1 O15530 1/20 0.36
PDE10A Q9Y233 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7720171 0.96 ATM (0.49) ATMLMNATLR8TLR7CYP3A4
SCHEMBL27850567 0.82 ATM (0.44) ATMLMNATLR8CYP3A4TRPV1
SCHEMBL16178787 0.79 ATM (0.50) ATMLMNATLR8CYP3A4TRPV1
SCHEMBL9001640 0.79 CCR1 (0.46) ATMLMNATLR8CYP3A4TRPV1
SCHEMBL27851167 0.79 LMNA (0.53) LMNATLR8TLR7CYP3A4TRPV1
SCHEMBL27958879 0.76 TLR7 (0.37) TLR8TLR7CYP3A4TRPV1KDM4E
SCHEMBL17099988 0.75 LMNA (0.51) ATMLMNACYP3A4KDM4EMAPT
Phosphoric Acid SCHEMBL29226180 0.74 ATM (0.48) ATMLMNACYP3A4KDM4EMAPT
SCHEMBL4242510 0.74 TLR8 (0.50) TLR8TLR7TRPV1KDM4EMAPT
SCHEMBL8944496 0.74 LMNA (0.50) ATMLMNACYP3A4KDM4EMAPT

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-6391648-B1 ASSOCIATIONS FOR USE AS OPTICAL OXYGEN DETECTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-05-21 US disclosed
EP-1159373-A2 PHOTOLUMINESCENT METAL-(BIS)LIGAND COMPLEXES HAVING DIFFERENT LIGANDS The Regents of the University of California (US) 2001-12-05 EP disclosed
WO-2000050534-A2 PHOTOLUMINESCENT METAL-(BIS)LIGAND COMPLEXES HAVING DIFFERENT LIGANDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-31 WO disclosed