SCHEMBL3353167

SCHEMBL3353167

Bc1c(NC2=NCCN2)ccc2nc(OC)cnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.56
ADRA2B P18089 12/20 0.56
ADRA2C P18825 12/20 0.56
ADRA1D P25100 10/20 0.56
ADRA1B P35368 9/20 0.49
ADRA1A P35348 8/20 0.49
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL251823 0.86 ADRA2A (0.75) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL3353162 0.79 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL3346716 0.79 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7031798 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL253111 0.67 ADRA2A (0.82) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7028091 0.66 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7032974 0.66 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL3346324 0.66 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL11248384 0.65 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL12208914 0.65 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1B

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
WO-2012001065-A2 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO disclosed
WO-2011061252-A2 COMBINATION THERAPY FOR TREATING OR PREVENTING AN INFLAMMATORY SKIN DISORDER GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-05-26 WO disclosed