SCHEMBL2875800

SCHEMBL2875800

Nc1ccc(N)c(Cc2ccco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.35
PNP P00491 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX5 P09917 2/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL6273649 0.80 KMT2A (0.46) GAANPC1POLBTSHRALDH1A1
SCHEMBL6912345 0.79 GAA (0.41) GAATSHRPNPALDH1A1HPGD
SCHEMBL5256800 0.79 GAA (0.42) GAANPC1POLBTSHRALDH1A1
Hydrochloric Acid SCHEMBL6268482 0.79 POLB (0.48) GAANPC1POLBTSHRALDH1A1
SCHEMBL5253257 0.76 MAPT (0.46) GAANPC1POLBTSHRALDH1A1
SCHEMBL1498698 0.75 PNP (0.44) GAATSHRPNPALDH1A1HPGD
SCHEMBL3243024 0.74 GAA (0.44) GAATAAR1NPC1POLBTSHR
SCHEMBL1014861 0.73 MAOA (0.46) GAANPC1POLBTSHRALDH1A1
SCHEMBL1404275 0.71 CHRM2 (0.46) GAAPOLBTSHRALDH1A1HPGD
SCHEMBL28195742 0.70 PNP (0.37) GAANPC1POLBTSHRPNP

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
EP-2563894-A2 DELIVERY PARTICLES The Procter & Gamble Company (US) 2013-03-06 EP disclosed
WO-2010079467-A2 DELIVERY PARTICLES THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed