SCHEMBL170977

SCHEMBL170977

O=C(c1ccccc1)n1c(-c2ccccc2)c(O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.72
P2RX4 Q99571 1/20 0.58
ABCB1 P08183 1/20 0.54
PTGS2 P35354 1/20 0.50
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SRC P12931 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA9 Q16790 1/20 0.44
ELANE P08246 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
SCHEMBL3628018 0.82 POLB (0.59) AGTR1KMT2ALMNAMAPTMEN1
SCHEMBL169758 0.80 AGTR1 (0.48) AGTR1P2RX4ABCB1PTGS2KMT2A
SCHEMBL872109 0.79 P2RX4 (0.81) AGTR1P2RX4KMT2ALMNAMAPT
SCHEMBL12611492 0.74 P2RX4 (1.00) AGTR1P2RX4KMT2ALMNAMAPT
SCHEMBL170603 0.74 ALDH1A1 (0.51) AGTR1KMT2ALMNAMAPTHTT
SCHEMBL6919741 0.72 AGTR1 (0.55) AGTR1P2RX4ABCB1PTGS2KMT2A
SCHEMBL8515056 0.72 AGTR1 (0.75) AGTR1P2RX4PTGS2LMNAALDH1A1
SCHEMBL28810781 0.72 LMNA (0.73) AGTR1P2RX4ABCB1PTGS2KMT2A
SCHEMBL1605381 0.71 CYP11B2 (0.60) AGTR1P2RX4ABCB1PTGS2LMNA
SCHEMBL7980221 0.71 SRC (0.87) AGTR1P2RX4KMT2ALMNAMAPT

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-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed