SCHEMBL8630463

SCHEMBL8630463

Nc1cc(N)cc(Oc2ccccc2N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
RCE1 Q9Y256 1/20 0.60
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR4 O00206 1/20 0.47
IKBKB O14920 1/20 0.47
BRAF P15056 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NLRP3 Q96P20 1/20 0.47
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44

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
SCHEMBL3684211 0.89 GAA (0.67) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL29392357 0.89 GAA (0.67) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL25135232 0.85 GAA (0.50) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL1352503 0.83 ALDH1A1 (0.68) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL31522160 0.83 ALDH1A1 (0.73) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL2285909 0.81 GAA (0.69) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL28499448 0.80 MAOB (0.66) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL510693 0.80 GAA (0.62) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL1049509 0.80 ALDH1A1 (0.75) GAARCE1ALDH1A1MAPTKDM4E
SCHEMBL4706791 0.80 CYP3A4 (0.55) GAARCE1ALDH1A1MAPTKDM4E

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-20130237040-A1 RESIN COMPOSITION, LAMINATE AND PROCESS FOR PRODUCTION THEREOF, STRUCTURE AND PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF ELECTRONIC DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2013-09-12 US disclosed
US-5747625-A Silicate group-containing polyimide NIPPON STEEL CHEMICAL CO., LTD. (JP) 1998-05-05 US disclosed