SCHEMBL902288

SCHEMBL902288

COc1ccc(Cc2cn(C)c(N)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
BACE1 P56817 5/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
LTA4H P09960 2/20 0.44
HTR6 P50406 1/20 0.44
TLR8 Q9NR97 2/20 0.44
MIF P14174 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL901543 0.80 TLR8 (0.61) ALDH1A1BACE1HTR6TLR8
SCHEMBL30366498 0.73 ALDH1A1 (0.65) ALDH1A1CYP2D6ATMLMNAHPGD
SCHEMBL28186684 0.72 TLR8 (0.61) ALDH1A1BACE1LMNATLR8POLB
SCHEMBL28905627 0.72 ADORA2A (0.51) ALDH1A1CYP2D6ATMBACE1LMNA
SCHEMBL7798261 0.71 ALDH1A1 (0.53) ALDH1A1CYP2D6ATMBACE1LMNA
SCHEMBL29348916 0.71 LTA4H (0.46) ALDH1A1CYP2D6ATMLMNALTA4H
SCHEMBL14686150 0.71 ALDH1A1 (0.43) ALDH1A1CYP2D6ATMBACE1LMNA
SCHEMBL4439445 0.70 ALDH1A1 (0.51) ALDH1A1CYP2D6ATMLMNAHPGD
SCHEMBL1136660 0.70 LTA4H (0.68) ALDH1A1CYP2D6ATMBACE1LMNA
SCHEMBL7753453 0.70 ALDH1A1 (0.55) ALDH1A1CYP2D6ATMLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041934-A1 POLYSUBSTITUTED 2-AMINOIMIDAZOLES FOR CONTROLLING BIOFILMS AND PROCESS FOR THEIR PRODUCTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-04-05 WO disclosed