SCHEMBL8380832

SCHEMBL8380832

Clc1cc(Cn2cccn2)ccc1OCCOc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 2/20 0.42
CSNK2A1 P68400 2/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
S1PR4 O95977 1/20 0.38
HTT P42858 1/20 0.38
NOS3 P29474 1/20 0.38

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
SCHEMBL8380240 0.83 GAA (0.50) CYP2C19NPC1GAAMAPTCYP2C9
SCHEMBL8383503 0.83 MAPT (0.49) CYP2C19NPC1ALDH1A1CYP2D6GAA
SCHEMBL7627658 0.78 MAPT (0.50) NPC1GAAMAPTMEN1TP53
SCHEMBL7630025 0.75 HDAC1 (0.45) CYP2C19ALDH1A1GAAMAPTCYP2C9
SCHEMBL18235820 0.74 GAA (0.59) NPC1GAAMAPTMEN1HPGD
SCHEMBL7634000 0.73 TSHR (0.44) CYP2C19ALDH1A1GAAMAPTCYP2C9
SCHEMBL9460074 0.73 LTA4H (0.57) GAAMAPTCSNK2A1MEN1TP53
SCHEMBL8383297 0.73 ADRB3 (0.48) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL8384881 0.72 GAA (0.46) GAAMAPTCSNK2A1MEN1TSHR
SCHEMBL8382530 0.70 MAPT (0.55) NPC1ALDH1A1GAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972949-A COMPOUNDS SUCH AS 4-(1-PYRAZOLYL)METHYLPHENYL 2-(2-PYRIMIDYLOXY) ETHYL ETHER; INSECTICIDAL AND/OR ACARICIDAL AGENTS SUMITO CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
US-5883262-A INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-16 US disclosed
EP-0757048-A1 ETHER COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-02-05 EP disclosed