SCHEMBL11412802

SCHEMBL11412802

CCCCCCCCCCCCCCCCc1nc2ccccc2nc1C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
DHFR P00374 1/20 0.48
KCNH2 Q12809 1/20 0.47
TLR8 Q9NR97 6/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.42

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
SCHEMBL11419112 1.00 PDE10A (0.50) PDE10ADHFRKCNH2TLR8LMNA
SCHEMBL11345237 0.98 PDE10A (0.51) PDE10ADHFRKCNH2TLR8LMNA
SCHEMBL11328179 0.93 PDE10A (0.53) PDE10ATLR8LMNATSHR
SCHEMBL626394 0.89 KCNH2 (0.53) DHFRKCNH2TLR8LMNATSHR
SCHEMBL27905824 0.89 KCNH2 (0.53) DHFRKCNH2TLR8LMNATSHR
SCHEMBL27863633 0.89 KCNH2 (0.53) DHFRKCNH2TLR8LMNATSHR
SCHEMBL8518275 0.87 TLR8 (0.50) DHFRKCNH2TLR8LMNATSHR
SCHEMBL7074713 0.85 PDE10A (0.56) PDE10ALMNATSHR
SCHEMBL18082979 0.83 KDM4E (0.45) PDE10ADHFRKCNH2TLR8LMNA
SCHEMBL1550990 0.81 KMT2A (0.46) PDE10ADHFRKCNH2TLR8

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
US-4228151-A QUINOXALINE DIOXIDE L'OREAL (FR) 1980-10-14 US claimed
US-4228151-A QUINOXALINE DIOXIDE L'OREAL (FR) 1980-10-14 US disclosed